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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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	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

1624

Analogs

56446
156831
156931
519487
1081316

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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

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	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

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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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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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

1529277

Analogs

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And 66 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	120	1.61	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	120	1.61	Binding ≤ 10μM
ACHA4-5-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	120	1.61	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)	0.66	2.46	-34.4	2	1	1	17	86.158	0	↓ MOL2 SDF SMILES Flexibase

3930459

Analogs

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Vendors

Chemstep
- 34259

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	33	1.05	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	33	1.05	Binding ≤ 10μM
ACHA4-5-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	33	1.05	Binding ≤ 10μM
Z104303-3-O	Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other	Other	4380	0.75	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)	0.48	1.65	-41.72	1	2	1	21	140.206	1	↓ MOL2 SDF SMILES Flexibase

38192546

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	50	1.46	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	50	1.46	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	50	1.46	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
Lo Low (pH 4.5-6)	0.75	3.78	-27.62	1	1	1	14	94.137	0	↓ MOL2 SDF SMILES Flexibase

28096944

Analogs

3704277

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- MolPort-007-994-936
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- BBV-00050757

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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	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
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- BBV-00050757

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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	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

2041084

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Clustered Target Annotations
Code	Description	Organism Class	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	Binding ≤ 10μM
ACHA4-5-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	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)	1.34	3.16	-32.73	2	1	1	17	100.185	0	↓ MOL2 SDF SMILES Flexibase

5226596

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Clustered Target Annotations
Code	Description	Organism Class	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	Binding ≤ 10μM
ACHA4-5-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	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)	1.34	3.16	-32.75	2	1	1	17	100.185	0	↓ MOL2 SDF SMILES Flexibase

8294957

Analogs

34621604

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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	1700	0.90	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	1700	0.90	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	1700	0.90	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)	1.83	4.94	-3.83	0	1	0	13	121.183	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.83	5.21	-27.91	1	1	1	14	122.191	2	↓ MOL2 SDF SMILES Flexibase

2034880

Analogs

31554353
39050299
39367467

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Popular Name: 3-Ethylpyridine 3-Ethylpyridine

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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	9500	0.88	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	9500	0.88	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	9500	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)	1.62	4.15	-3.69	0	1	0	13	107.156	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.62	4.43	-29.27	1	1	1	14	108.164	1	↓ MOL2 SDF SMILES Flexibase

1577159

Analogs

1559720

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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	3300	0.96	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	3300	0.96	Binding ≤ 10μM
ACHA4-5-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	3300	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)	1.63	5.4	-28.85	1	1	1	4	114.212	1	↓ MOL2 SDF SMILES Flexibase

4098884

Analogs

4098885

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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	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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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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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

3164350

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	48	1.02	Binding ≤ 10μM
ACHA3-3-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	48	1.02	Binding ≤ 10μM
ACHA4-5-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	48	1.02	Binding ≤ 10μM
Z104303-3-O	Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other	Other	5425	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)	0.48	1.7	-41.47	1	2	1	21	140.206	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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And 21 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	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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And 1 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	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

31164

Analogs

31165
37031997
37031999
37032000
37100815

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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	2600	0.65	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	2600	0.65	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	2600	0.65	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	450	0.74	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	92	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)	0.45	4.46	-38.34	2	2	1	29	163.244	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.45	4.91	-98.5	3	2	2	31	164.252	1	↓ MOL2 SDF SMILES Flexibase

31165

Analogs

21817193
37100815
37100816
31164

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And 99 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	2600	0.65	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	2600	0.65	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	2600	0.65	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	450	0.74	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	92	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)	0.45	4.46	-38.36	2	2	1	29	163.244	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.45	4.91	-98.49	3	2	2	31	164.252	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

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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

26381346

Analogs

70516582
70516585
70516586
70516589
70516590

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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	77	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)	2.40	5.09	-41.28	2	2	1	26	214.235	3	↓ MOL2 SDF SMILES Flexibase

26381389

Analogs

43496535

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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	523	0.52	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)	3.04	5.96	-40	2	2	1	26	246.252	4	↓ MOL2 SDF SMILES Flexibase

26381396

Analogs

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Vendors

Enamine BB Make on Demand
- BBV-43866182

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	5406	0.53	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)	2.69	6.7	-40.17	2	1	1	17	212.313	3	↓ MOL2 SDF SMILES Flexibase

389827

Analogs

36720351
39245054
39245055

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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
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	5086	0.57	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	4.63	-38.11	3	2	1	29	177.271	3	↓ MOL2 SDF SMILES Flexibase

26383758

Analogs

43496680
70519579
70519580
70519587
70519605

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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	3067	0.43	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)	2.70	5.42	-38.78	2	2	1	26	268.205	3	↓ MOL2 SDF SMILES Flexibase

13819654

Analogs

38482183

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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	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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Vendors

Toronto Research Chemicals
- H948175

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	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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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	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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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

Parameters Provided:

annotation.name = ACH10_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 'ACH10\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "annotation.name": "ACH10_RAT"        

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