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ZINC Item

Suppliers, Protomers, & Similar Substances

54697055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3R)-3-(5-ethyl-2-methyl-1,2,4-t…

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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)	0.03	4.54	-47.7	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

54697056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3S)-3-(5-ethyl-2-methyl-1,2,4-t…

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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)	0.03	4.54	-47.25	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

54697469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)piperidine (3R)-3-(2-methyl-5-propyl-1,2,4-…

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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)	0.53	5.31	-47.49	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

54697470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)piperidine (3S)-3-(2-methyl-5-propyl-1,2,4-…

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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)	0.53	5.31	-47.08	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

54697802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3R)-3-(5-isopropyl-2-methyl-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)	0.52	4.99	-47.42	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

54697804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3S)-3-(5-isopropyl-2-methyl-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)	0.52	4.99	-46.96	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

54698726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3R)-3-(5-tert-butyl-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)	1.18	5.55	-47.2	2	4	1	47	223.344	2	↓ MOL2 SDF SMILES Flexibase

54698728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3S)-3-(5-tert-butyl-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)	1.18	5.55	-46.8	2	4	1	47	223.344	2	↓ MOL2 SDF SMILES Flexibase

54699005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3R)-3-(5-isobutyl-2-methyl-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)	0.78	5.77	-47.05	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

54699006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3S)-3-(5-isobutyl-2-methyl-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)	0.78	5.77	-46.6	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62872758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine (3S)-3-methyl-3-(2-methyl-1,2,4-…

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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)	0.00	4.27	-44.1	2	4	1	47	181.263	1	↓ MOL2 SDF SMILES Flexibase

62872759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine (3R)-3-methyl-3-(2-methyl-1,2,4-…

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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)	0.00	4.29	-44.03	2	4	1	47	181.263	1	↓ MOL2 SDF SMILES Flexibase

62872760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine (3S)-3-ethyl-3-(2-methyl-1,2,4-t…

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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)	0.32	4.43	-51.05	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62872761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine (3R)-3-ethyl-3-(2-methyl-1,2,4-t…

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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)	0.32	4.43	-50.68	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62872762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-methyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3S)-3-(2-methyl-1,2,4-triazol-3…

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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)	0.88	5.19	-51.36	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62872763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-methyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3R)-3-(2-methyl-1,2,4-triazol-3…

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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)	0.88	5.19	-51.02	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62872764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3R)-3-(2-ethyl-1,2,4-triazol-3-…

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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)	0.37	5.05	-44.28	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62872765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3S)-3-(2-ethyl-1,2,4-triazol-3-…

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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)	0.37	5	-44.23	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62872766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine (3S)-3-ethyl-3-(2-ethyl-1,2,4-tr…

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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)	0.70	5.14	-50.9	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62872767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine (3R)-3-ethyl-3-(2-ethyl-1,2,4-tr…

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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)	0.70	5.12	-50.79	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62872768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3S)-3-(2-ethyl-1,2,4-triazol-3-…

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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)	1.26	5.9	-51.17	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62872769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-ethyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3R)-3-(2-ethyl-1,2,4-triazol-3-…

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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)	1.26	5.77	-51.15	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62872772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3R)-3-(2,5-dimethyl-1,2,4-triaz…

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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)	0.08	4.14	-44.67	2	4	1	47	195.29	1	↓ MOL2 SDF SMILES Flexibase

62872773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3S)-3-(2,5-dimethyl-1,2,4-triaz…

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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)	0.08	4.14	-44.59	2	4	1	47	195.29	1	↓ MOL2 SDF SMILES Flexibase

62872774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-piperidine (3S)-3-(2,5-dimethyl-1,2,4-triaz…

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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)	0.41	4.29	-51.56	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

62872775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-piperidine (3R)-3-(2,5-dimethyl-1,2,4-triaz…

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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)	0.41	4.29	-51.27	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

62872776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3S)-3-(2,5-dimethyl-1,2,4-triaz…

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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)	0.97	5.06	-51.84	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62872777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3R)-3-(2,5-dimethyl-1,2,4-triaz…

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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)	0.97	5.06	-51.59	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62872816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3R)-3-(5-ethyl-2-methyl-1,2,4-t…

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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)	0.66	4.76	-44.46	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

62872817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3S)-3-(5-ethyl-2-methyl-1,2,4-t…

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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)	0.66	4.75	-44.4	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

62872818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3R)-3-ethyl-3-(5-ethyl-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)	0.98	4.93	-51.01	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62872819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3S)-3-ethyl-3-(5-ethyl-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)	0.98	4.92	-51.27	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62872820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3S)-3-(5-ethyl-2-methyl-1,2,4-t…

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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)	1.54	5.68	-51.63	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62872821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3R)-3-(5-ethyl-2-methyl-1,2,4-t…

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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)	1.54	5.68	-51.29	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62872822

Analogs

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Popular Name: (3R)-3-methyl-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)piperidine (3R)-3-methyl-3-(2-methyl-5-prop…

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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)	1.16	5.53	-44.3	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62872823

Analogs

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Popular Name: (3S)-3-methyl-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)piperidine (3S)-3-methyl-3-(2-methyl-5-prop…

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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)	1.16	5.53	-44.29	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62872824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)piperidine (3R)-3-ethyl-3-(2-methyl-5-propy…

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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)	1.48	5.7	-50.88	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62872825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)piperidine (3S)-3-ethyl-3-(2-methyl-5-propy…

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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)	1.48	5.69	-51.11	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62872826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3R)-3-(2-methyl-5-propyl-1,2,4-…

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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)	2.04	6.47	-51.14	2	4	1	47	251.398	5	↓ MOL2 SDF SMILES Flexibase

62872827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3S)-3-(2-methyl-5-propyl-1,2,4-…

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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)	2.04	6.45	-51.45	2	4	1	47	251.398	5	↓ MOL2 SDF SMILES Flexibase

62872828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3R)-3-(5-isopropyl-2-methyl-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)	1.14	5.21	-44.14	2	4	1	47	223.344	2	↓ MOL2 SDF SMILES Flexibase

62872829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3S)-3-(5-isopropyl-2-methyl-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)	1.14	5.21	-44.14	2	4	1	47	223.344	2	↓ MOL2 SDF SMILES Flexibase

62872830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3S)-3-ethyl-3-(5-isopropyl-2-me…

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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)	1.47	5.36	-51.01	2	4	1	47	237.371	3	↓ MOL2 SDF SMILES Flexibase

62872831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)piperidine (3R)-3-ethyl-3-(5-isopropyl-2-me…

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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)	1.47	5.36	-50.77	2	4	1	47	237.371	3	↓ MOL2 SDF SMILES Flexibase

62872832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3S)-3-(5-isopropyl-2-methyl-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)	2.02	6.13	-51.37	2	4	1	47	251.398	4	↓ MOL2 SDF SMILES Flexibase

62872833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-3-propyl-piperidine (3R)-3-(5-isopropyl-2-methyl-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)	2.02	6.12	-51.05	2	4	1	47	251.398	4	↓ MOL2 SDF SMILES Flexibase

62872840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3S)-3-(5-tert-butyl-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)	1.81	5.76	-44.13	2	4	1	47	237.371	2	↓ MOL2 SDF SMILES Flexibase

62872841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-piperidine (3R)-3-(5-tert-butyl-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)	1.81	5.78	-44.12	2	4	1	47	237.371	2	↓ MOL2 SDF SMILES Flexibase

62872844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-ethyl-piperidine (3S)-3-(5-tert-butyl-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)	2.13	5.92	-50.55	2	4	1	47	251.398	3	↓ MOL2 SDF SMILES Flexibase

62872845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3-ethyl-piperidine (3R)-3-(5-tert-butyl-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)	2.13	5.91	-50.3	2	4	1	47	251.398	3	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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