ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	8480	0.51	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	8000	0.51	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)	1.12	6.08	-10.07	0	4	0	60	190.154	3	↓ MOL2 SDF SMILES Flexibase

1841234

Analogs

3200262
39234682

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Popular Name: DNC005472 DNC005472

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Vendors

Toronto Research Chemicals
- M288925

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	126	0.57	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	33	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)	3.06	2.26	-7.45	0	2	0	34	224.259	3	↓ MOL2 SDF SMILES Flexibase

13671723

Analogs

37992328
37992331

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	365	0.64	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	6540	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)	1.78	5.82	-4.6	0	2	0	34	222.29	3	↓ MOL2 SDF SMILES Flexibase

1747039

Analogs

39050145

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Popular Name: 2,2'-PYRIDIL 2,2'-PYRIDIL

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And 13 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	484	0.55	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	152	0.60	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)	0.27	5.15	-11.26	0	4	0	60	212.208	3	↓ MOL2 SDF SMILES Flexibase

2168289

Analogs

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And 8 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	1549	0.41	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	139	0.48	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)	2.67	1.97	-10.53	0	4	0	52	270.284	5	↓ MOL2 SDF SMILES Flexibase

1529614

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CHLE-1-E	Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic	Eukaryotes	190	0.59	Binding ≤ 10μM
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	3	0.75	Binding ≤ 10μM
PTPRC-3-E	Leukocyte Common Antigen (cluster #3 Of 3), Eukaryotic	Eukaryotes	700	0.54	Binding ≤ 10μM
Q4U254-1-V	Human Rhinovirus A Protease (cluster #1 Of 3), Viral	Viruses	1400	0.51	Binding ≤ 10μM
Z81338-1-O	T-cells (cluster #1 Of 3), Other	Other	300	0.57	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	7.58	-11.46	0	2	0	34	208.216	0	↓ MOL2 SDF SMILES Flexibase

1700208

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACES-10-E	Acetylcholinesterase (cluster #10 Of 12), Eukaryotic	Eukaryotes	320	0.76	Binding ≤ 10μM
CHLE-1-E	Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic	Eukaryotes	2290	0.66	Binding ≤ 10μM
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	930	0.70	Binding ≤ 10μM
I23O1-1-E	Indoleamine 2,3-dioxygenase 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	7100	0.60	Binding ≤ 10μM
PTN1-1-E	Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic	Eukaryotes	1640	0.67	Binding ≤ 10μM
PTPRC-3-E	Leukocyte Common Antigen (cluster #3 Of 3), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
Q4U254-1-V	Human Rhinovirus A Protease (cluster #1 Of 3), Viral	Viruses	8200	0.59	Binding ≤ 10μM
Z81338-1-O	T-cells (cluster #1 Of 3), Other	Other	7000	0.60	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)	1.67	6.09	-12.34	0	2	0	34	158.156	0	↓ MOL2 SDF SMILES Flexibase

1672966

Analogs

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Popular Name: Benzil Benzil

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	830	0.53	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	45	0.64	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	1.93	-7.72	0	2	0	34	210.232	3	↓ MOL2 SDF SMILES Flexibase

4265681

Analogs

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Vendors

MolMall (formerly Molecular Diversity Preservation International)
- 10778

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	107	0.49	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	334	0.45	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)	3.29	10.47	-4.87	0	2	0	34	396.078	5	↓ MOL2 SDF SMILES Flexibase

4265684

Analogs

4265685

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MolMall (formerly Molecular Diversity Preservation International)
- 10778

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	107	0.49	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	334	0.45	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)	3.29	0.83	-4.26	0	2	0	34	396.078	5	↓ MOL2 SDF SMILES Flexibase

4265685

Analogs

4265684

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MolMall (formerly Molecular Diversity Preservation International)
- 10778

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	107	0.49	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	334	0.45	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)	3.29	0.87	-4.37	0	2	0	34	396.078	5	↓ MOL2 SDF SMILES Flexibase

3844702

Analogs

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AKOS (make-on-demand)
- AKOS004900758

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	2630	0.41	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	267	0.48	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)	2.77	1.63	-5.03	0	2	0	34	317.182	5	↓ MOL2 SDF SMILES Flexibase

3844703

Analogs

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AKOS (make-on-demand)
- AKOS004900758

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	2630	0.41	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	267	0.48	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)	2.77	1.58	-5.2	0	2	0	34	317.182	5	↓ MOL2 SDF SMILES Flexibase

5705162

Analogs

3844983

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Popular Name: DNC012872 DNC012872

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Vendors

Molport
- MolPort-003-808-637

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	257	0.38	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	85	0.41	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)	4.97	2.17	-8.77	0	2	0	34	310.352	3	↓ MOL2 SDF SMILES Flexibase

1566855

Analogs

3190299

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And 30 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	3410	0.38	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	70	0.50	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)	2.72	2	-8.17	0	4	0	52	270.284	5	↓ MOL2 SDF SMILES Flexibase

1648377

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	2150	0.36	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)	2.81	1.88	-9.88	0	4	0	40	296.37	5	↓ MOL2 SDF SMILES Flexibase

3152345

Analogs

2393012

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	9	0.47	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)	4.00	1.51	-13.1	0	8	0	125	458.018	5	↓ MOL2 SDF SMILES Flexibase

1601014

Analogs

2392956

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	267	0.42	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	397	0.41	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)	2.48	2.97	-16.45	0	8	0	125	300.226	5	↓ MOL2 SDF SMILES Flexibase

2384868

Analogs

36767369

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	3311	0.37	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	9	0.54	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)	2.88	2.19	-10.45	0	4	0	52	304.729	5	↓ MOL2 SDF SMILES Flexibase

1555402

Analogs

2170331
2393002

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And 29 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	182	0.52	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	28	0.59	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)	3.96	1.64	-4.76	0	2	0	34	279.122	3	↓ MOL2 SDF SMILES Flexibase

2170331

Analogs

2393002
1555402

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Popular Name: 4-Chlorobenzil 4-Chlorobenzil

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And 14 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	5	0.68	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	30	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)	3.29	1.79	-6.01	0	2	0	34	244.677	3	↓ MOL2 SDF SMILES Flexibase

2559787

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	78	0.55	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	21	0.60	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)	3.31	1.36	-7.68	0	2	0	34	303.155	4	↓ MOL2 SDF SMILES Flexibase

2510245

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	160	0.53	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	23	0.59	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)	3.73	2.11	-5.81	0	2	0	34	258.704	3	↓ MOL2 SDF SMILES Flexibase

1683675

Analogs

39234682

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	5270	0.67	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	1840	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)	1.01	4.9	-4.45	0	2	0	34	148.161	2	↓ MOL2 SDF SMILES Flexibase

2504724

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	231	0.52	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	170	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)	2.94	3.41	-5.34	0	2	0	34	246.212	3	↓ MOL2 SDF SMILES Flexibase

1671392

Analogs

3190299

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Popular Name: DNC005475 DNC005475

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	175	0.53	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	10	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)	2.66	7.08	-7.89	0	3	0	43	240.258	4	↓ MOL2 SDF SMILES Flexibase

1590056

Analogs

3200262
39234682

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	537	0.49	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	60	0.56	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	2.57	-7.37	0	2	0	34	238.286	3	↓ MOL2 SDF SMILES Flexibase

3311689

Analogs

1710982

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	99	0.54	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	92	0.55	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)	3.43	2.55	-7.71	0	2	0	34	238.286	3	↓ MOL2 SDF SMILES Flexibase

1699466

Analogs

2392990
2393025
2579761
6096110

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And 19 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	19	0.60	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)	4.23	0.41	-4.6	0	2	0	34	368.024	3	↓ MOL2 SDF SMILES Flexibase

13642872

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	1698	0.31	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	380	0.35	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)	6.24	10.49	-1.1	0	2	0	34	472.407	3	↓ MOL2 SDF SMILES Flexibase

1590838

Analogs

3200262
39234682

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	8	0.44	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	10	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)	3.28	2.67	-10.1	0	4	0	68	342.35	6	↓ MOL2 SDF SMILES Flexibase

1704748

Analogs

2392994
34538810
39233491

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And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	1660	0.45	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	353	0.50	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)	3.87	1.7	-9.51	0	2	0	34	279.122	3	↓ MOL2 SDF SMILES Flexibase

1683334

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	54	0.51	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	73	0.50	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	-1.93	-9.65	2	4	0	74	400.022	3	↓ MOL2 SDF SMILES Flexibase

3269660

Analogs

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Popular Name: DNC005464 DNC005464

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And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	525	0.46	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	72	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)	2.52	8.34	-46.1	0	4	-1	74	253.233	4	↓ MOL2 SDF SMILES Flexibase

4530702

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	3950	0.44	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)	2.88	10.11	-17.28	0	2	0	34	224.259	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.07	8.43	-60.99	0	2	-1	40	223.251	3	↓ MOL2 SDF SMILES Flexibase

34803574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CAY10401 CAY10401

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Vendors

Cayman Chemical
- 71652

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	500	0.32	Binding ≤ 10μM
FAAH1-5-E	Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.20	14.1	-13.02	0	4	0	56	382.548	14	↓ MOL2 SDF SMILES Flexibase

13611906

Analogs

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Popular Name: PHOP PHOP

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
FAAH1-5-E	Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic	Eukaryotes	9	0.51	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)	4.19	8.61	-12.58	0	4	0	56	294.354	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.19	8.87	-41.41	1	4	1	57	295.362	7	↓ MOL2 SDF SMILES Flexibase

3949004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: OL-135 OL-135

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Vendors

Chembo Pharma
- KB-79672

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	600	0.35	Binding ≤ 10μM
FAAH1-5-E	Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic	Eukaryotes	5	0.46	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
Ref Reference (pH 7)	4.87	0.21	-9.29	0	4	0	55	334.419	9	↓ MOL2 SDF SMILES Flexibase

1587825

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	1550	0.68	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	2420	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)	1.51	5.72	-4.15	0	2	0	34	162.188	3	↓ MOL2 SDF SMILES Flexibase

132534

Analogs

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Popular Name: 2,2'-Thenoin 2,2'-Thenoin

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	4540	0.53	Binding ≤ 10μM
EST2-5-E	Carboxylesterase 2 (cluster #5 Of 5), Eukaryotic	Eukaryotes	5610	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)	2.07	5.48	-57.61	0	2	-1	40	223.298	3	↓ MOL2 SDF SMILES Flexibase

132537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2'-Thenoin 2,2'-Thenoin

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	4540	0.53	Binding ≤ 10μM
EST2-5-E	Carboxylesterase 2 (cluster #5 Of 5), Eukaryotic	Eukaryotes	5610	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)	2.07	-1.74	-7.55	1	2	0	37	224.306	3	↓ MOL2 SDF SMILES Flexibase

Analogs

56684
56685
236100
393162
393403

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Popular Name: Benzoin Benzoin

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And 58 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	7250	0.45	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	2670	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)	2.27	6.57	-8.15	1	2	0	37	212.248	3	↓ MOL2 SDF SMILES Flexibase

236100

Analogs

76

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Popular Name: Benzoin Benzoin

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And 56 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	7250	0.45	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	2670	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)	2.27	6.55	-8.14	1	2	0	37	212.248	3	↓ MOL2 SDF SMILES Flexibase

1691218

Analogs

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Popular Name: 1,2-Indanedione 1,2-Indanedione

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CHLE-1-E	Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic	Eukaryotes	2630	0.71	Binding ≤ 10μM
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	5240	0.67	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.62	4.57	-9.29	0	2	0	34	146.145	0	↓ MOL2 SDF SMILES Flexibase

3848035

Analogs

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Popular Name: DNC007855 DNC007855

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Vendors

MolMall (formerly Molecular Diversity Preservation International)
- 16467

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	2980	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)	2.73	1.62	-10.53	0	2	0	34	236.27	0	↓ MOL2 SDF SMILES Flexibase

1705972

Analogs

2579849
2579854
39224679

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	10	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)	2.21	3.7	-5.21	0	1	0	17	188.148	3	↓ MOL2 SDF SMILES Flexibase

34803408

Analogs

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Popular Name: CAY10400 CAY10400

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Vendors

Cayman Chemical
- 71650

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	1000	0.30	Binding ≤ 10μM
FAAH1-5-E	Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic	Eukaryotes	23	0.38	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)	8.48	13.89	-11.04	0	4	0	56	384.564	16	↓ MOL2 SDF SMILES Flexibase

1710767

Analogs

5196288
12481263

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Popular Name: 2,2'-Thenil 2,2'-Thenil

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And 21 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	874	0.61	Binding ≤ 10μM
EST2-3-E	Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	1040	0.60	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)	2.41	0.5	-6.43	0	2	0	34	222.29	3	↓ MOL2 SDF SMILES Flexibase

13611905

Analogs

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Popular Name: OL-92 OL-92

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Vendors

Chembo Pharma
- KB-79673

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EST1-6-E	Carboxylesterase (cluster #6 Of 7), Eukaryotic	Eukaryotes	3	0.52	Binding ≤ 10μM
FAAH1-5-E	Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.70	9.39	-12.25	0	4	0	56	308.381	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.70	9.65	-40.64	1	4	1	57	309.389	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = EST1-6-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'EST1-6-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=EST1-6-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "EST1-6-E",        
        "target.type": "B10"        

    });
</script>