ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-3-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHA-1-E	Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHA2-1-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHA5-1-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHA6-1-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHA9-1-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHB2-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHB3-1-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM
ACHB4-1-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #1 Of 7), Eukaryotic	Eukaryotes	7	1.04	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.03	3.6	-40.56	2	3	1	43	153.205	1	↓ MOL2 SDF SMILES Flexibase

13819699

Analogs

38482183

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	140	0.87	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.55	0.92	-46.34	3	3	1	50	173.623	3	↓ MOL2 SDF SMILES Flexibase

13819615

Analogs

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Vendors

Molport BB
- MolPort-039-051-995

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	140	0.74	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.01	5.05	-36.64	1	3	1	27	181.259	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.01	5.3	-83.49	2	3	2	28	182.267	4	↓ MOL2 SDF SMILES Flexibase

13589050

Analogs

34380715

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Popular Name: DNC006435 DNC006435

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
Z104283-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other	Other	35	0.95	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.71	2.31	-40.34	2	3	1	39	153.205	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.71	2.59	-88.63	3	3	2	40	154.213	4	↓ MOL2 SDF SMILES Flexibase

13819629

Analogs

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Vendors

Chemstep
- 73817

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.79	4.9	-39.55	1	3	1	27	199.249	4	↓ MOL2 SDF SMILES Flexibase

13819631

Analogs

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Vendors

Chemstep
- 73818

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	100	0.70	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.79	4.9	-39.59	1	3	1	27	199.249	4	↓ MOL2 SDF SMILES Flexibase

13819658

Analogs

34439128

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Vendors

Chembo Pharma
- KB-302233
Chemstep
- 73753

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	560	0.63	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.81	2.95	-48.02	2	6	1	85	198.202	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.81	3.24	-106.65	3	6	2	86	199.21	5	↓ MOL2 SDF SMILES Flexibase

13819609

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	50	0.79	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	5.05	-37.6	1	3	1	27	246.128	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.91	5.34	-90.07	2	3	2	28	247.136	4	↓ MOL2 SDF SMILES Flexibase

3079336

Analogs

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And 73 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACHA2-3-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	180	0.94	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	3509	0.76	Binding ≤ 10μM
ACHB2-3-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #3 Of 7), Eukaryotic	Eukaryotes	180	0.94	Binding ≤ 10μM
ACHB4-4-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #4 Of 7), Eukaryotic	Eukaryotes	180	0.94	Binding ≤ 10μM
ACHD-2-E	Acetylcholine Receptor Protein Delta Chain (cluster #2 Of 3), Eukaryotic	Eukaryotes	5000	0.74	Binding ≤ 10μM
ACHP-1-E	Acetylcholine-binding Protein (cluster #1 Of 3), Eukaryotic	Eukaryotes	3162	0.77	Binding ≤ 10μM
ACM1-4-E	Muscarinic Acetylcholine Receptor M1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	770	0.86	Binding ≤ 10μM
ACM3-4-E	Muscarinic Acetylcholine Receptor M3 (cluster #4 Of 5), Eukaryotic	Eukaryotes	220	0.93	Binding ≤ 10μM
ACM5-1-E	Muscarinic Acetylcholine Receptor M5 (cluster #1 Of 4), Eukaryotic	Eukaryotes	790	0.85	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8900	0.71	Functional ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	4000	0.76	Functional ≤ 10μM
ACM1-1-E	Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1	1.26	Functional ≤ 10μM
ACM2-2-E	Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	220	0.93	Functional ≤ 10μM
ACM3-1-E	Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	1.19	Functional ≤ 10μM
ACM4-1-E	Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	10	1.12	Functional ≤ 10μM
ACM5-2-E	Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 3), Eukaryotic	Eukaryotes	630	0.87	Functional ≤ 10μM
Z104281-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #1 Of 2), Other	Other	41	1.03	Binding ≤ 10μM
Z104286-1-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #1 Of 2), Other	Other	11	1.11	Binding ≤ 10μM
Z104287-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #2 Of 3), Other	Other	881	0.85	Binding ≤ 10μM
Z104289-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #1 Of 2), Other	Other	83	0.99	Binding ≤ 10μM
Z104290-3-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #3 Of 4), Other	Other	8	1.13	Binding ≤ 10μM
Z104303-2-O	Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other	Other	12	1.11	Binding ≤ 10μM
Z102306-2-O	Aorta (cluster #2 Of 6), Other	Other	1000	0.84	Functional ≤ 10μM
Z104287-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 2), Other	Other	8700	0.71	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.56	6.42	-34.1	0	3	1	26	146.21	4	↓ MOL2 SDF SMILES Flexibase

1624

Analogs

56446
156831
156931
519487
1081316

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Vendors

And 37 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHA2-5-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHA5-3-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHA6-3-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #3 Of 4), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHA7-6-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHA7-6-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	6260	0.29	Binding ≤ 10μM
ACHA9-3-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHB2-5-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #5 Of 7), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHB3-3-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
ACHB4-2-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #2 Of 7), Eukaryotic	Eukaryotes	87	0.40	Binding ≤ 10μM
VMAT2-1-E	Synaptic Vesicular Amine Transporter (cluster #1 Of 2), Eukaryotic	Eukaryotes	2760	0.31	Binding ≤ 10μM
VMAT2-1-E	Synaptic Vesicular Amine Transporter (cluster #1 Of 2), Eukaryotic	Eukaryotes	6260	0.29	Binding ≤ 10μM
CP2D6-3-E	Cytochrome P450 2D6 (cluster #3 Of 3), Eukaryotic	Eukaryotes	120	0.39	ADME/T ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	4	0.47	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	40	0.41	Binding ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	3981	0.30	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	10.48	-45.25	2	3	1	42	338.471	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.73	8.25	-8.89	1	3	0	41	337.463	6	↓ MOL2 SDF SMILES Flexibase

16082005

Analogs

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Vendors

Prestwick Chemical
- 582

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHA2-6-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHA5-3-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHA6-3-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #3 Of 4), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHA9-3-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHB2-6-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #6 Of 7), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHB3-3-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM
ACHB4-6-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #6 Of 7), Eukaryotic	Eukaryotes	300	0.37	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	8.25	-39.49	3	3	1	45	340.487	6	↓ MOL2 SDF SMILES Flexibase

12397618

Analogs

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And 3 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-3-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHA-1-E	Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHA2-1-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHA5-1-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHA6-1-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #1 Of 4), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHA9-1-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHB2-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHB3-1-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM
ACHB4-1-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #1 Of 7), Eukaryotic	Eukaryotes	552	0.73	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.60	4.33	-39.72	2	3	1	43	167.232	2	↓ MOL2 SDF SMILES Flexibase

3079342

Analogs

6382231

Draw Identity 99% 90% 80% 70%

Popular Name: Carbachol Carbachol

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Vendors

And 31 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACES-8-E	Acetylcholinesterase (cluster #8 Of 12), Eukaryotic	Eukaryotes	8	1.13	Binding ≤ 10μM
ACHA2-3-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	640	0.87	Binding ≤ 10μM
ACHB2-3-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #3 Of 7), Eukaryotic	Eukaryotes	640	0.87	Binding ≤ 10μM
ACHB4-4-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #4 Of 7), Eukaryotic	Eukaryotes	640	0.87	Binding ≤ 10μM
ACHD-2-E	Acetylcholine Receptor Protein Delta Chain (cluster #2 Of 3), Eukaryotic	Eukaryotes	450	0.89	Binding ≤ 10μM
ACM1-2-E	Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	739	0.86	Binding ≤ 10μM
ACM2-2-E	Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 6), Eukaryotic	Eukaryotes	8	1.13	Binding ≤ 10μM
ACM3-2-E	Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 5), Eukaryotic	Eukaryotes	9100	0.71	Binding ≤ 10μM
ACM4-2-E	Muscarinic Acetylcholine Receptor M4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	5500	0.74	Binding ≤ 10μM
ACM5-1-E	Muscarinic Acetylcholine Receptor M5 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4300	0.75	Binding ≤ 10μM
ACM1-1-E	Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	620	0.87	Functional ≤ 10μM
ACM2-2-E	Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	700	0.86	Functional ≤ 10μM
ACM3-1-E	Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	9900	0.70	Functional ≤ 10μM
ACM4-1-E	Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	230	0.93	Functional ≤ 10μM
ACM5-2-E	Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 3), Eukaryotic	Eukaryotes	8900	0.71	Functional ≤ 10μM
Z104281-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #1 Of 2), Other	Other	1100	0.83	Binding ≤ 10μM
Z104286-1-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #1 Of 2), Other	Other	210	0.93	Binding ≤ 10μM
Z104287-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #2 Of 3), Other	Other	4800	0.74	Binding ≤ 10μM
Z104289-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #1 Of 2), Other	Other	1300	0.82	Binding ≤ 10μM
Z104290-3-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #3 Of 4), Other	Other	590	0.87	Binding ≤ 10μM
Z104303-2-O	Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other	Other	9000	0.71	Binding ≤ 10μM
Z102306-2-O	Aorta (cluster #2 Of 6), Other	Other	790	0.85	Functional ≤ 10μM
Z50512-2-O	Cavia Porcellus (cluster #2 Of 7), Other	Other	500	0.88	Functional ≤ 10μM
Z50592-4-O	Oryctolagus Cuniculus (cluster #4 Of 8), Other	Other	460	0.89	Functional ≤ 10μM
Z80024-2-O	A9 (Fibroblast Cells) (cluster #2 Of 3), Other	Other	100	0.98	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-4.14	1.5	-35.46	2	4	1	52	147.198	4	↓ MOL2 SDF SMILES Flexibase

1675069

Analogs

5161973

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And 18 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	3570	0.69	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.43	2.01	-31.14	2	3	1	39	148.189	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.43	2.29	-90.58	3	3	2	40	149.197	1	↓ MOL2 SDF SMILES Flexibase

13491700

Analogs

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Vendors

Chembo Pharma
- KB-286941
Chemstep
- 58352

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-3-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	5010	0.49	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	6.06	-31.2	1	3	1	30	202.281	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.44	6.34	-83.27	2	3	2	31	203.289	3	↓ MOL2 SDF SMILES Flexibase

4018167

Analogs

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Vendors

Ambinter
- Amb8484655

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	47	0.93	Binding ≤ 10μM
ACHP-2-E	Acetylcholine-binding Protein (cluster #2 Of 3), Eukaryotic	Eukaryotes	3162	0.70	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.91	1.46	-39.03	1	2	1	17	151.233	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.91	1.57	-88.04	2	2	2	18	152.241	3	↓ MOL2 SDF SMILES Flexibase

27526089

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.59	4.03	-31.32	2	3	1	42	164.232	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.98	4	-8.18	2	3	0	42	163.224	3	↓ MOL2 SDF SMILES Flexibase

66462

Analogs

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Vendors

Chembo Pharma
- KB-286273
Chemstep
- 50020

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	1400	0.63	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.49	1.65	-32.73	2	4	1	48	178.215	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.49	1.92	-85.07	3	4	2	49	179.223	3	↓ MOL2 SDF SMILES Flexibase

1442802

Analogs

53132543

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Vendors

And 30 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-4-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	1510	0.81	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.03	1.29	-34.74	4	3	1	65	136.178	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.03	1.58	-91.14	5	3	2	66	137.186	2	↓ MOL2 SDF SMILES Flexibase

28096944

Analogs

3704277

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Vendors

Molport BB
- MolPort-007-994-936
Innovapharm BB Make on Demand
- BBV-00050757

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA2-1-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA5-1-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA6-1-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA9-1-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHB2-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHB3-1-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHB4-1-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #1 Of 7), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.38	6.34	-35.48	1	2	1	14	192.282	2	↓ MOL2 SDF SMILES Flexibase

28096950

Analogs

3704277

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Vendors

Molport BB
- MolPort-007-994-936
Innovapharm BB Make on Demand
- BBV-00050757

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA2-1-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA5-1-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA6-1-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHA9-1-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHB2-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHB3-1-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM
ACHB4-1-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #1 Of 7), Eukaryotic	Eukaryotes	707	0.62	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.38	6.94	-35.04	1	2	1	14	192.282	2	↓ MOL2 SDF SMILES Flexibase

4098884

Analogs

4098885

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA-1-E	Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA2-5-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA4-5-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA5-3-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA6-3-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA7-6-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA7-6-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	90	0.82	Binding ≤ 10μM
ACHA9-3-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHB-3-E	Acetylcholine Receptor Protein Beta Chain (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHB2-5-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #5 Of 7), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHB3-3-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHB4-2-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #2 Of 7), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHB4-2-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #2 Of 7), Eukaryotic	Eukaryotes	19	0.90	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.94	Binding ≤ 10μM
ACHG-3-E	Acetylcholine Receptor Protein Gamma Chain (cluster #3 Of 3), Eukaryotic	Eukaryotes	1	1.05	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 1), Eukaryotic	Eukaryotes	110	0.81	Functional ≤ 10μM
Z104287-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 3), Other	Other	25	0.89	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	1	1.05	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	48	0.85	Binding ≤ 10μM
Z50591-2-O	Bos Taurus (cluster #2 Of 2), Other	Other	2000	0.66	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.12	4.05	-42.61	2	2	1	34	166.244	1	↓ MOL2 SDF SMILES Flexibase

4098885

Analogs

4098884

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Popular Name: Anatoxin a Anatoxin a

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And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA-1-E	Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA2-5-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA4-5-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA5-3-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA6-3-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA7-6-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHA9-3-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHB-3-E	Acetylcholine Receptor Protein Beta Chain (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHB2-5-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #5 Of 7), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHB3-3-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHB4-2-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #2 Of 7), Eukaryotic	Eukaryotes	5	0.97	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.94	Binding ≤ 10μM
ACHG-3-E	Acetylcholine Receptor Protein Gamma Chain (cluster #3 Of 3), Eukaryotic	Eukaryotes	1	1.05	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 1), Eukaryotic	Eukaryotes	110	0.81	Functional ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	48	0.85	Binding ≤ 10μM
Z50591-2-O	Bos Taurus (cluster #2 Of 2), Other	Other	2000	0.66	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.12	-0.69	-42.22	2	2	1	33	166.244	1	↓ MOL2 SDF SMILES Flexibase

5898

Analogs

391820

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Vendors

And 47 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	300	0.83	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	3	1.08	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	730	0.78	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	300	0.83	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	17	0.99	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	80	0.90	Binding ≤ 10μM
ACHG-1-E	Acetylcholine Receptor Protein Gamma Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	300	0.83	Binding ≤ 10μM
Q8BGP7-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	1.08	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	29	0.96	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	30	0.96	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.85	3.72	-39.03	2	2	1	29	149.217	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.85	4	-97.03	3	2	2	31	150.225	1	↓ MOL2 SDF SMILES Flexibase

13735584

Analogs

3786099

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Vendors

Chemstep
- 69786
Tractus
- TRA0026034

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-3-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHA-1-E	Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHA2-1-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHA5-1-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHA6-1-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	7	0.95	Binding ≤ 10μM
ACHA9-1-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHB2-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHB3-1-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.98	Binding ≤ 10μM
ACHB4-1-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #1 Of 7), Eukaryotic	Eukaryotes	7	0.95	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	4	0.98	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.27	5.81	-35.61	1	3	1	30	167.232	1	↓ MOL2 SDF SMILES Flexibase

8090

Analogs

8089

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-3-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHA-1-E	Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHA2-1-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHA5-1-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHA6-1-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #1 Of 4), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHA9-1-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHB2-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHB3-1-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM
ACHB4-1-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #1 Of 7), Eukaryotic	Eukaryotes	333	0.82	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.03	3.56	-40.1	2	3	1	43	153.205	1	↓ MOL2 SDF SMILES Flexibase

3786099

Analogs

13735584

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-3-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHA-1-E	Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHA2-1-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	62	0.84	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHA5-1-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHA6-1-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #1 Of 4), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHA9-1-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHB2-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	62	0.84	Binding ≤ 10μM
ACHB3-1-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHB4-1-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #1 Of 7), Eukaryotic	Eukaryotes	56	0.85	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	53	0.85	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	4	0.98	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	8	0.94	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	380	0.75	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.27	4.98	-37.04	1	3	1	30	167.232	1	↓ MOL2 SDF SMILES Flexibase

13444114

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	2	0.94	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.14	6.49	-34.51	1	2	1	17	177.271	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.14	6.76	-89.83	2	2	2	19	178.279	1	↓ MOL2 SDF SMILES Flexibase

13444117

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.94	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	2	0.94	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.14	6.52	-34.55	1	2	1	17	177.271	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.14	6.8	-90.23	2	2	2	19	178.279	1	↓ MOL2 SDF SMILES Flexibase

391812

Analogs

4365454
1798

Draw Identity 99% 90% 80% 70%

Popular Name: Nicotine Nicotine

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	8	0.94	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	7	0.95	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	47	0.85	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	5500	0.61	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	7	0.95	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	7	0.95	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	770	0.71	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	7	0.95	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.95	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	5500	0.61	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	2000	0.66	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	5000	0.62	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	6300	0.61	Binding ≤ 10μM
ACHG-1-E	Acetylcholine Receptor Protein Gamma Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	6300	0.61	Binding ≤ 10μM
ACHP-2-E	Acetylcholine-binding Protein (cluster #2 Of 3), Eukaryotic	Eukaryotes	63	0.84	Binding ≤ 10μM
KCNH2-5-E	HERG (cluster #5 Of 5), Eukaryotic	Eukaryotes	3610	0.63	Binding ≤ 10μM
Q8BGP7-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.99	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 3), Eukaryotic	Eukaryotes	9400	0.59	Functional ≤ 10μM
ACHA4-2-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	6600	0.60	Functional ≤ 10μM
ACHA7-3-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	1500	0.68	Functional ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 1), Eukaryotic	Eukaryotes	7100	0.60	Functional ≤ 10μM
CP2A6-1-E	Cytochrome P450 2A6 (cluster #1 Of 5), Eukaryotic	Eukaryotes	4400	0.62	ADME/T ≤ 10μM
Z104281-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #2 Of 2), Other	Other	47	0.85	Binding ≤ 10μM
Z104282-1-O	Acetylcholine Receptor; Alpha1/beta1/delta/gamma (cluster #1 Of 1), Other	Other	6270	0.61	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	9	0.94	Binding ≤ 10μM
Z104284-1-O	Neuronal Acetylcholine Receptor; Alpha2/beta4 (cluster #1 Of 1), Other	Other	70	0.83	Binding ≤ 10μM
Z104285-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #1 Of 1), Other	Other	129	0.80	Binding ≤ 10μM
Z104286-2-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #2 Of 2), Other	Other	6	0.96	Binding ≤ 10μM
Z104287-3-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #3 Of 3), Other	Other	530	0.73	Binding ≤ 10μM
Z104288-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 2), Other	Other	530	0.73	Binding ≤ 10μM
Z104289-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #2 Of 2), Other	Other	46	0.86	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	10	0.93	Binding ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 1), Other	Other	1	1.05	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 2), Other	Other	9400	0.59	Functional ≤ 10μM
Z104288-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 1), Other	Other	8000	0.59	Functional ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 1), Other	Other	7	0.95	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	40	0.86	Functional ≤ 10μM
Z81074-1-O	K177cell Line (cluster #1 Of 1), Other	Other	5000	0.62	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.09	5.14	-35.14	1	2	1	17	163.244	1	↓ MOL2 SDF SMILES Flexibase

6525315

Analogs

26717002

Draw Identity 99% 90% 80% 70%

Popular Name: DNC014096 DNC014096

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	181	0.73	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	3680	0.59	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	188	0.72	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHD-3-E	Acetylcholine Receptor Protein Delta Chain (cluster #3 Of 3), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
Z104290-4-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other	Other	0	0.00	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.11	-1.94	-44.73	2	3	1	38	183.206	3	↓ MOL2 SDF SMILES Flexibase

13819654

Analogs

38482183

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	37	0.87	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	2.79	-41.65	2	3	1	39	187.65	4	↓ MOL2 SDF SMILES Flexibase

13738853

Analogs

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Toronto Research Chemicals
- H948175

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	619	0.62	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.56	2.4	-38.22	2	3	1	38	193.27	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.56	2.68	-96.15	3	3	2	39	194.278	2	↓ MOL2 SDF SMILES Flexibase

13819619

Analogs

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Vendors

Enamine BB Make on Demand
- BBV-42956028

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	79	0.76	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	4.84	-39.6	1	3	1	27	201.677	4	↓ MOL2 SDF SMILES Flexibase

13819662

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	43	0.86	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.76	2.92	-40.51	2	3	1	39	167.232	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.76	3.17	-87.11	3	3	2	40	168.24	4	↓ MOL2 SDF SMILES Flexibase

13487911

Analogs

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Vendors

Otava (Virtual)
- 7323175

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-3-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	206	0.78	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	206	0.78	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.19	3.49	-29	1	3	1	30	162.216	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.19	3.77	-89.29	2	3	2	31	163.224	1	↓ MOL2 SDF SMILES Flexibase

8463982

Analogs

39291566
39291568
39291570
39291572
4787611

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHA2-5-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHA5-3-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHA6-3-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #3 Of 4), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHA7-6-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHA9-3-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHB2-5-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #5 Of 7), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHB3-3-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM
ACHB4-2-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #2 Of 7), Eukaryotic	Eukaryotes	7800	0.29	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.06	12.72	-52.3	1	3	1	39	336.455	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.06	10.51	-13.14	0	3	0	37	335.447	6	↓ MOL2 SDF SMILES Flexibase

4716433

Analogs

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And 1 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-4-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	540	0.88	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	540	0.88	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.51	4.59	-37.4	1	2	1	17	137.206	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.51	4.88	-93.05	2	2	2	19	138.214	2	↓ MOL2 SDF SMILES Flexibase

12397616

Analogs

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And 3 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-3-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHA-1-E	Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHA2-1-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHA5-1-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHA6-1-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #1 Of 4), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHA9-1-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHB2-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHB3-1-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM
ACHB4-1-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #1 Of 7), Eukaryotic	Eukaryotes	12	0.92	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.60	4.36	-40.25	2	3	1	43	167.232	2	↓ MOL2 SDF SMILES Flexibase

1444851

Analogs

3705296
3705297
3705298
3705299

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And 74 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	5.45	-35.2	2	1	1	17	148.229	1	↓ MOL2 SDF SMILES Flexibase

1444852

Analogs

3705296
3705297
3705298
3705299

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And 73 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	8696	0.64	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	5.45	-35.49	2	1	1	17	148.229	1	↓ MOL2 SDF SMILES Flexibase

13819656

Analogs

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Chembo Pharma
- KB-184269
Chemstep
- 49572

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	27	0.88	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.34	0.17	-40.61	4	4	1	65	168.22	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.34	0.45	-87.59	5	4	2	66	169.228	4	↓ MOL2 SDF SMILES Flexibase

27524819

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-4-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	5820	0.67	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.21	1.86	-35.14	3	3	1	53	150.205	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.35	1.84	-12.67	3	3	0	53	149.197	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.34	2.63	-90.62	4	3	2	52	151.213	3	↓ MOL2 SDF SMILES Flexibase

155006

Analogs

1556646
8462937
34320168
39280325

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-4-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHA-3-E	Acetylcholine Receptor Protein Alpha Chain (cluster #3 Of 4), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHA2-6-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHA5-3-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHA6-3-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #3 Of 4), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHA9-3-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHB2-6-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #6 Of 7), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHB3-3-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHB4-6-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #6 Of 7), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	120	0.69	Binding ≤ 10μM
Z104281-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #2 Of 2), Other	Other	42	0.74	Binding ≤ 10μM
Z104283-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other	Other	2500	0.56	Binding ≤ 10μM
Z104286-2-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #2 Of 2), Other	Other	28	0.76	Binding ≤ 10μM
Z104287-3-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #3 Of 3), Other	Other	800	0.61	Binding ≤ 10μM
Z104289-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #2 Of 2), Other	Other	1700	0.58	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	90	0.70	Binding ≤ 10μM
Z50597-3-O	Rattus Norvegicus (cluster #3 Of 12), Other	Other	4300	0.54	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.05	8.34	-33.84	0	2	1	3	191.298	1	↓ MOL2 SDF SMILES Flexibase

1599730

Analogs

6528452

Draw Identity 99% 90% 80% 70%

Popular Name: Cytisine Cytisine

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And 46 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACHA-1-E	Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHA2-1-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	6	0.82	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	144	0.68	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	900	0.60	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	5820	0.52	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHB2-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	2700	0.56	Binding ≤ 10μM
ACHB4-1-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #1 Of 7), Eukaryotic	Eukaryotes	900	0.60	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
ACHG-1-E	Acetylcholine Receptor Protein Gamma Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	250	0.66	Binding ≤ 10μM
Z104281-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #2 Of 2), Other	Other	37	0.74	Binding ≤ 10μM
Z104282-1-O	Acetylcholine Receptor; Alpha1/beta1/delta/gamma (cluster #1 Of 1), Other	Other	250	0.66	Binding ≤ 10μM
Z104283-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other	Other	3	0.85	Binding ≤ 10μM
Z104284-1-O	Neuronal Acetylcholine Receptor; Alpha2/beta4 (cluster #1 Of 1), Other	Other	5	0.83	Binding ≤ 10μM
Z104286-2-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #2 Of 2), Other	Other	1	0.90	Binding ≤ 10μM
Z104287-3-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #3 Of 3), Other	Other	217	0.67	Binding ≤ 10μM
Z104288-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 2), Other	Other	840	0.61	Binding ≤ 10μM
Z104289-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #2 Of 2), Other	Other	2	0.87	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	69	0.72	Binding ≤ 10μM
Z104282-1-O	Acetylcholine Receptor; Alpha1/beta1/delta/gamma (cluster #1 Of 1), Other	Other	11	0.80	Functional ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 2), Other	Other	0	0.00	Functional ≤ 10μM
Z104287-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #2 Of 2), Other	Other	25	0.76	Functional ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 1), Other	Other	9	0.80	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	60	0.72	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.27	4.62	-47.94	2	3	1	39	191.254	0	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.69	14.27	-20.96	0	4	0	57	378.468	4	↓ MOL2 SDF SMILES Flexibase

79582

Analogs

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHA2-6-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHA5-3-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHA6-3-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #3 Of 4), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHA9-3-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #3 Of 4), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHB2-6-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #6 Of 7), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHB3-3-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM
ACHB4-6-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #6 Of 7), Eukaryotic	Eukaryotes	5900	0.56	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.76	7.06	-40.49	1	2	1	22	178.255	4	↓ MOL2 SDF SMILES Flexibase

3805142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: A-85380 A-85380

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-1-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA-2-E	Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA2-2-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	17	0.91	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA4-3-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	2	1.01	Binding ≤ 10μM
ACHA5-2-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA6-2-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHA9-2-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHB-4-E	Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHB2-2-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	17	0.91	Binding ≤ 10μM
ACHB3-2-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACHB4-3-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic	Eukaryotes	17	0.91	Binding ≤ 10μM
ACHD-3-E	Acetylcholine Receptor Protein Delta Chain (cluster #3 Of 3), Eukaryotic	Eukaryotes	700	0.72	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	700	0.72	Functional ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	8900	0.59	Functional ≤ 10μM
Z104281-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #2 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104283-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other	Other	700	0.72	Binding ≤ 10μM
Z104286-2-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #2 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104287-3-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #3 Of 3), Other	Other	72	0.83	Binding ≤ 10μM
Z104287-3-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #3 Of 3), Other	Other	74	0.83	Binding ≤ 10μM
Z104289-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #2 Of 2), Other	Other	7	0.95	Binding ≤ 10μM
Z104290-4-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other	Other	0	0.00	Binding ≤ 10μM
Z104290-4-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other	Other	2	1.01	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	3	0.99	Functional ≤ 10μM
Z80175-1-O	IMR-32 (Neuroblastoma Cells) (cluster #1 Of 2), Other	Other	700	0.72	Functional ≤ 10μM
Z81074-1-O	K177cell Line (cluster #1 Of 1), Other	Other	700	0.72	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.83	-2.56	-40.53	2	3	1	38	165.216	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.83	-2.45	-88.84	3	3	2	39	166.224	3	↓ MOL2 SDF SMILES Flexibase

6733591

Analogs

53131873
53131878

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	5.81	-42.9	2	2	1	29	199.277	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.07	6.1	-99.3	3	2	2	31	200.285	1	↓ MOL2 SDF SMILES Flexibase

6733592

Analogs

53131873
53131878

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	93	0.66	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	5.81	-42.86	2	2	1	29	199.277	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.07	6.1	-99.36	3	2	2	31	200.285	1	↓ MOL2 SDF SMILES Flexibase

391820

Analogs

6625653
6625661
6625878
6625882
5898

Draw Identity 99% 90% 80% 70%

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	300	0.83	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	3	1.08	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	730	0.78	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	300	0.83	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	22	0.97	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	80	0.90	Binding ≤ 10μM
ACHG-1-E	Acetylcholine Receptor Protein Gamma Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	300	0.83	Binding ≤ 10μM
Q8BGP7-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	1.08	Binding ≤ 10μM
Z104281-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #2 Of 2), Other	Other	47	0.93	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	29	0.96	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	30	0.96	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	33	0.95	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.85	3.63	-38.4	2	2	1	29	149.217	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.85	4.1	-96.72	3	2	2	31	150.225	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = ACHA2_RAT
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'ACHA2\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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