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ZINC Item

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36865807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-isopropyl-5-(4-methoxy-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-(4-methoxy-1-p…

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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	9.28	-49.82	0	7	-1	83	313.403	6	↓ MOL2 SDF SMILES Flexibase

36865808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-methoxy-1-piperidyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(4-methoxy-1-piperidyl)-4-…

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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)	0.57	9.7	-48.65	0	7	-1	83	313.403	7	↓ MOL2 SDF SMILES Flexibase

36865809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-methoxy-1-piperidyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(4-methoxy-1-piperidyl)-4-…

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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)	-0.31	8.05	-48.53	0	7	-1	83	285.349	5	↓ MOL2 SDF SMILES Flexibase

36865810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(4-methoxy-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-(4-methoxy-1-piper…

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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)	0.06	8.95	-48.82	0	7	-1	83	299.376	6	↓ MOL2 SDF SMILES Flexibase

36865812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(dimethylamino)-1-piperidyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[4-(dimethylamino)-1-piper…

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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)	0.47	10.05	-72.93	1	7	0	79	299.4	5	↓ MOL2 SDF SMILES Flexibase

36865813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(dimethylamino)-1-piperidyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[4-(dimethylamino)-1-piper…

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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)	0.84	10.95	-73.45	1	7	0	79	313.427	6	↓ MOL2 SDF SMILES Flexibase

36865841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-ethyl-1-piperidyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R)-3-ethyl-1-piperidyl]…

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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)	2.44	11.52	-47.99	0	6	-1	74	311.431	6	↓ MOL2 SDF SMILES Flexibase

36865842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-ethyl-1-piperidyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-ethyl-1-piperidyl]…

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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)	2.44	11.52	-48	0	6	-1	74	311.431	6	↓ MOL2 SDF SMILES Flexibase

36865843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-ethyl-1-piperidyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-ethyl-1-piperidyl]…

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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)	2.58	11.91	-46.76	0	6	-1	74	311.431	7	↓ MOL2 SDF SMILES Flexibase

36865844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-ethyl-1-piperidyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R)-3-ethyl-1-piperidyl]…

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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)	2.58	11.93	-46.8	0	6	-1	74	311.431	7	↓ MOL2 SDF SMILES Flexibase

36865845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-ethyl-1-piperidyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R)-3-ethyl-1-piperidyl]…

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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)	1.70	10.29	-46.72	0	6	-1	74	283.377	5	↓ MOL2 SDF SMILES Flexibase

36865846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-ethyl-1-piperidyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-ethyl-1-piperidyl]…

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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)	1.70	10.29	-46.74	0	6	-1	74	283.377	5	↓ MOL2 SDF SMILES Flexibase

36865847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(3R)-3-ethyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(3R)-3-ethyl-1-pi…

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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	11.16	-46.96	0	6	-1	74	297.404	6	↓ MOL2 SDF SMILES Flexibase

36865848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(3S)-3-ethyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(3S)-3-ethyl-1-pi…

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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	11.16	-46.96	0	6	-1	74	297.404	6	↓ MOL2 SDF SMILES Flexibase

36865897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-isopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-(4-methyl-1-pi…

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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)	1.93	10.88	-47.97	0	6	-1	74	297.404	5	↓ MOL2 SDF SMILES Flexibase

36865898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-methyl-1-piperidyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(4-methyl-1-piperidyl)-4-p…

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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	11.28	-46.78	0	6	-1	74	297.404	6	↓ MOL2 SDF SMILES Flexibase

36865899

Analogs

42457666

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-(4-methyl-1-piper…

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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)	1.20	9.65	-46.67	0	6	-1	74	269.35	4	↓ MOL2 SDF SMILES Flexibase

36865900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-(4-methyl-1-piperi…

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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)	1.57	10.53	-46.96	0	6	-1	74	283.377	5	↓ MOL2 SDF SMILES Flexibase

36866458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-isopropyl-5-[(2R)-2-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-[(2R)-2-methyl…

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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)	2.02	9.87	-48.49	0	6	-1	74	297.404	5	↓ MOL2 SDF SMILES Flexibase

36866459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-isopropyl-5-[(2S)-2-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-[(2S)-2-methyl…

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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)	2.02	9.86	-48.54	0	6	-1	74	297.404	5	↓ MOL2 SDF SMILES Flexibase

36866460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S)-2-methyl-1-piperidyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2S)-2-methyl-1-piperidyl…

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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)	2.16	10.18	-46.68	0	6	-1	74	297.404	6	↓ MOL2 SDF SMILES Flexibase

36866461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2R)-2-methyl-1-piperidyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2R)-2-methyl-1-piperidyl…

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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)	2.16	10.25	-47.36	0	6	-1	74	297.404	6	↓ MOL2 SDF SMILES Flexibase

36866462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-[(2R)-2-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-[(2R)-2-methyl-1-…

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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)	1.28	8.6	-47.18	0	6	-1	74	269.35	4	↓ MOL2 SDF SMILES Flexibase

36866463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-[(2S)-2-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-[(2S)-2-methyl-1-…

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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)	1.28	8.6	-47.23	0	6	-1	74	269.35	4	↓ MOL2 SDF SMILES Flexibase

36866464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(2S)-2-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(2S)-2-methyl-1-p…

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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)	1.66	9.41	-46.73	0	6	-1	74	283.377	5	↓ MOL2 SDF SMILES Flexibase

36866465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(2R)-2-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(2R)-2-methyl-1-p…

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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)	1.66	9.5	-47.52	0	6	-1	74	283.377	5	↓ MOL2 SDF SMILES Flexibase

36866493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-isopropyl-5-[(3R)-3-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-[(3R)-3-methyl…

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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)	1.93	10.88	-47.96	0	6	-1	74	297.404	5	↓ MOL2 SDF SMILES Flexibase

36866494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-isopropyl-5-[(3S)-3-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-[(3S)-3-methyl…

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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)	1.93	10.88	-47.99	0	6	-1	74	297.404	5	↓ MOL2 SDF SMILES Flexibase

36866495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-methyl-1-piperidyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-methyl-1-piperidyl…

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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	11.27	-46.75	0	6	-1	74	297.404	6	↓ MOL2 SDF SMILES Flexibase

36866496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-methyl-1-piperidyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R)-3-methyl-1-piperidyl…

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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	11.29	-46.76	0	6	-1	74	297.404	6	↓ MOL2 SDF SMILES Flexibase

36866498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-[(3R)-3-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-[(3R)-3-methyl-1-…

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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)	1.20	9.65	-46.72	0	6	-1	74	269.35	4	↓ MOL2 SDF SMILES Flexibase

36866500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-[(3S)-3-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-[(3S)-3-methyl-1-…

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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)	1.20	9.65	-46.68	0	6	-1	74	269.35	4	↓ MOL2 SDF SMILES Flexibase

36866501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(3S)-3-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(3S)-3-methyl-1-p…

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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)	1.57	10.53	-46.96	0	6	-1	74	283.377	5	↓ MOL2 SDF SMILES Flexibase

36866502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(3R)-3-methyl-1-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(3R)-3-methyl-1-p…

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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)	1.57	10.54	-46.98	0	6	-1	74	283.377	5	↓ MOL2 SDF SMILES Flexibase

36866563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5R)-3,5-dimethyl-1-piperidyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S,5R)-3,5-dimethyl-1-pi…

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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	11.47	-47.87	0	6	-1	74	311.431	5	↓ MOL2 SDF SMILES Flexibase

36866564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S,5S)-3,5-dimethyl-1-pi…

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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	11.65	-47.87	0	6	-1	74	311.431	5	↓ MOL2 SDF SMILES Flexibase

36866565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R,5R)-3,5-dimethyl-1-pi…

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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	11.65	-47.86	0	6	-1	74	311.431	5	↓ MOL2 SDF SMILES Flexibase

36866566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5R)-3,5-dimethyl-1-piperidyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S,5R)-3,5-dimethyl-1-pi…

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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)	2.55	11.87	-46.67	0	6	-1	74	311.431	6	↓ MOL2 SDF SMILES Flexibase

36866567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S,5S)-3,5-dimethyl-1-pi…

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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)	2.55	12.05	-46.67	0	6	-1	74	311.431	6	↓ MOL2 SDF SMILES Flexibase

36866568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R,5R)-3,5-dimethyl-1-pi…

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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)	2.55	12.03	-46.76	0	6	-1	74	311.431	6	↓ MOL2 SDF SMILES Flexibase

36866569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5R)-3,5-dimethyl-1-piperidyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S,5R)-3,5-dimethyl-1-pi…

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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	10.24	-46.53	0	6	-1	74	283.377	4	↓ MOL2 SDF SMILES Flexibase

36866571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S,5S)-3,5-dimethyl-1-pi…

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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	10.42	-46.61	0	6	-1	74	283.377	4	↓ MOL2 SDF SMILES Flexibase

36866573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R,5R)-3,5-dimethyl-1-pi…

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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	10.42	-46.65	0	6	-1	74	283.377	4	↓ MOL2 SDF SMILES Flexibase

36866574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5R)-3,5-dimethyl-1-piperidyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S,5R)-3,5-dimethyl-1-pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	11.13	-46.82	0	6	-1	74	297.404	5	↓ MOL2 SDF SMILES Flexibase

36866575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S,5S)-3,5-dimethyl-1-pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	11.29	-46.88	0	6	-1	74	297.404	5	↓ MOL2 SDF SMILES Flexibase

36866576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R,5R)-3,5-dimethyl-1-pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	11.29	-46.95	0	6	-1	74	297.404	5	↓ MOL2 SDF SMILES Flexibase

36866582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-isopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-(1-piperidyl)-…

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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)	1.69	10.29	-48.04	0	6	-1	74	283.377	5	↓ MOL2 SDF SMILES Flexibase

36866583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(1-piperidyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(1-piperidyl)-4-propyl-1,2…

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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	10.69	-46.79	0	6	-1	74	283.377	6	↓ MOL2 SDF SMILES Flexibase

36866584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-(1-piperidyl)-1,2…

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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)	0.95	9.06	-46.72	0	6	-1	74	255.323	4	↓ MOL2 SDF SMILES Flexibase

36866585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-(1-piperidyl)-1,2,…

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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)	1.33	9.94	-47.02	0	6	-1	74	269.35	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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<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', {
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