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ZINC Item

Suppliers, Protomers, & Similar Substances

65151861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(p-tolyl)acetami 2-[8-[(3R,5R)-3,5-dimethyl-1-pip…

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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)	2.68	11.13	-17.41	1	8	0	85	394.479	4	↓ MOL2 SDF SMILES Flexibase

49399762

Analogs

35425697
35425754
35425787

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-2-[3-oxo-8-(1-piperidyl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(4-isopropylphenyl)-2-[3-oxo-8…

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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)	3.03	11.04	-17.28	1	8	0	85	394.479	5	↓ MOL2 SDF SMILES Flexibase

49399768

Analogs

35425488
35425491
35425541

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	1.90	10.36	-24.36	1	10	0	111	424.461	6	↓ MOL2 SDF SMILES Flexibase

49399771

Analogs

35425754
35425790

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(p-tolyl)acetamide 2-[8-[(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)	2.20	10.38	-17.38	1	8	0	85	380.452	4	↓ MOL2 SDF SMILES Flexibase

49399774

Analogs

35425790

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(p-tolyl)acetamide 2-[8-[(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)	2.20	10.4	-17.42	1	8	0	85	380.452	4	↓ MOL2 SDF SMILES Flexibase

49399777

Analogs

35425832

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(3,4-dimethylphenyl)-2-[8-[(3S…

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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	10.93	-17.47	1	8	0	85	394.479	4	↓ MOL2 SDF SMILES Flexibase

49399781

Analogs

35425832

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(3,4-dimethylphenyl)-2-[8-[(3R…

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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	10.95	-17.61	1	8	0	85	394.479	4	↓ MOL2 SDF SMILES Flexibase

49399784

Analogs

35425835
35425844

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl) 2-[8-[(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)	2.02	11.94	-16.75	1	8	0	85	408.506	4	↓ MOL2 SDF SMILES Flexibase

49399787

Analogs

35425835
35425844
35425923

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl) 2-[8-[(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)	2.02	11.96	-16.86	1	8	0	85	408.506	4	↓ MOL2 SDF SMILES Flexibase

49399791

Analogs

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Popular Name: N-(4-ethylphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(4-ethylphenyl)-2-[8-[(3S)-3-m…

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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)	2.67	11.14	-17.28	1	8	0	85	394.479	5	↓ MOL2 SDF SMILES Flexibase

49399794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(4-ethylphenyl)-2-[8-[(3R)-3-m…

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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)	2.67	11.16	-17.26	1	8	0	85	394.479	5	↓ MOL2 SDF SMILES Flexibase

49399798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acet N-(4-isopropylphenyl)-2-[8-[(3R)…

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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)	3.27	11.64	-16.93	1	8	0	85	408.506	5	↓ MOL2 SDF SMILES Flexibase

49399801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acet N-(4-isopropylphenyl)-2-[8-[(3S)…

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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)	3.27	11.65	-17.2	1	8	0	85	408.506	5	↓ MOL2 SDF SMILES Flexibase

49399804

Analogs

35425748

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,3-dimethylphenyl)-2-[8-[(3S…

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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)	2.56	11.11	-17.36	1	8	0	85	394.479	4	↓ MOL2 SDF SMILES Flexibase

49399807

Analogs

35425748

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,3-dimethylphenyl)-2-[8-[(3R…

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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)	2.56	11.15	-17.55	1	8	0	85	394.479	4	↓ MOL2 SDF SMILES Flexibase

49399810

Analogs

35425835
35425841
35425844
35425923

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,4-dimethylphenyl)-2-[8-[(3S…

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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	11.26	-17.91	1	8	0	85	394.479	4	↓ MOL2 SDF SMILES Flexibase

49399813

Analogs

35425656
35425665
35425835
35425841
35425844

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,4-dimethylphenyl)-2-[8-[(3R…

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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	11.29	-18.05	1	8	0	85	394.479	4	↓ MOL2 SDF SMILES Flexibase

49399817

Analogs

35425480
35425491
35425541

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,5-dimethylphenyl)-2-[8-[(3S…

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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	11.22	-17.38	1	8	0	85	394.479	4	↓ MOL2 SDF SMILES Flexibase

49399820

Analogs

35425491
35425532
35425541

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,5-dimethylphenyl)-2-[8-[(3R…

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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	11.24	-17.48	1	8	0	85	394.479	4	↓ MOL2 SDF SMILES Flexibase

49399824

Analogs

35425548
35425584
35425820
35425865

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(3-methoxyphenyl)-2-[8-[(3R)-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)	1.79	9.01	-20.34	1	9	0	94	396.451	5	↓ MOL2 SDF SMILES Flexibase

49399827

Analogs

35425548
35425820

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(3-methoxyphenyl)-2-[8-[(3S)-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)	1.79	9.03	-20.67	1	9	0	94	396.451	5	↓ MOL2 SDF SMILES Flexibase

49399831

Analogs

35425437
35425581
35425584
35425817

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ac N-(3,4-dimethoxyphenyl)-2-[8-[(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)	1.40	8.92	-19.99	1	10	0	103	426.477	6	↓ MOL2 SDF SMILES Flexibase

49399834

Analogs

35425461
35425581
35425584
35425817

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ac N-(3,4-dimethoxyphenyl)-2-[8-[(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)	1.40	8.92	-20.23	1	10	0	103	426.477	6	↓ MOL2 SDF SMILES Flexibase

49399837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ac N-(3,5-dimethoxyphenyl)-2-[8-[(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)	1.80	8.32	-20.13	1	10	0	103	426.477	6	↓ MOL2 SDF SMILES Flexibase

49399840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ac N-(3,5-dimethoxyphenyl)-2-[8-[(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)	1.80	8.32	-20.38	1	10	0	103	426.477	6	↓ MOL2 SDF SMILES Flexibase

49399843

Analogs

35425437
35425458
35425461
35425629
35425760

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetami N-(4-ethoxyphenyl)-2-[8-[(3S)-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)	2.19	9.93	-18.05	1	9	0	94	410.478	6	↓ MOL2 SDF SMILES Flexibase

49399846

Analogs

35425437
35425461
35425629
35425760

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetami N-(4-ethoxyphenyl)-2-[8-[(3R)-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)	2.19	9.95	-18.11	1	9	0	94	410.478	6	↓ MOL2 SDF SMILES Flexibase

49399849

Analogs

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Popular Name: 2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methylsulfanylphenyl 2-[8-[(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)	2.16	10.73	-19.94	1	8	0	85	412.519	5	↓ MOL2 SDF SMILES Flexibase

49399853

Analogs

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Popular Name: 2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methylsulfanylphenyl 2-[8-[(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)	2.16	10.74	-20.24	1	8	0	85	412.519	5	↓ MOL2 SDF SMILES Flexibase

49399864

Analogs

35425678
35425763
35425856

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,4-difluorophenyl)-2-[8-[(3R…

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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)	2.01	9.89	-14.77	1	8	0	85	402.405	4	↓ MOL2 SDF SMILES Flexibase

49399867

Analogs

35425678
35425856

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,4-difluorophenyl)-2-[8-[(3S…

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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)	2.01	9.9	-14.93	1	8	0	85	402.405	4	↓ MOL2 SDF SMILES Flexibase

49399871

Analogs

35425446
35425766

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Popular Name: N-(3-chlorophenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetami N-(3-chlorophenyl)-2-[8-[(3R)-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)	2.41	10.24	-18.36	1	8	0	85	400.87	4	↓ MOL2 SDF SMILES Flexibase

49399874

Analogs

35425446
35425766

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetami N-(3-chlorophenyl)-2-[8-[(3S)-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)	2.41	10.25	-18.69	1	8	0	85	400.87	4	↓ MOL2 SDF SMILES Flexibase

49399877

Analogs

35425455

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-bromophenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(3-bromophenyl)-2-[8-[(3R)-3-m…

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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)	2.54	10.34	-18.31	1	8	0	85	445.321	4	↓ MOL2 SDF SMILES Flexibase

49399880

Analogs

35425455

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-bromophenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(3-bromophenyl)-2-[8-[(3S)-3-m…

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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)	2.54	10.35	-18.68	1	8	0	85	445.321	4	↓ MOL2 SDF SMILES Flexibase

49399883

Analogs

35425455
35425510

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(4-bromophenyl)-2-[8-[(3R)-3-m…

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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)	2.56	10.34	-16.82	1	8	0	85	445.321	4	↓ MOL2 SDF SMILES Flexibase

49399886

Analogs

35425455
35425510

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(4-bromophenyl)-2-[8-[(3S)-3-m…

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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)	2.56	10.34	-17.08	1	8	0	85	445.321	4	↓ MOL2 SDF SMILES Flexibase

49399889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- N-(4-chloro-2-fluoro-phenyl)-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)	2.53	10.34	-14.53	1	8	0	85	418.86	4	↓ MOL2 SDF SMILES Flexibase

49399892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- N-(4-chloro-2-fluoro-phenyl)-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)	2.53	10.35	-14.71	1	8	0	85	418.86	4	↓ MOL2 SDF SMILES Flexibase

49399895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- N-(3-chloro-2-methyl-phenyl)-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)	2.79	10.99	-15.98	1	8	0	85	414.897	4	↓ MOL2 SDF SMILES Flexibase

49399898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- N-(3-chloro-2-methyl-phenyl)-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)	2.79	11.02	-16.07	1	8	0	85	414.897	4	↓ MOL2 SDF SMILES Flexibase

49399902

Analogs

35425578
35425672
35425684

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- N-(5-chloro-2-methyl-phenyl)-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)	2.81	11.11	-19.26	1	8	0	85	414.897	4	↓ MOL2 SDF SMILES Flexibase

49399905

Analogs

35425578
35425672
35425684

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- N-(5-chloro-2-methyl-phenyl)-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)	2.81	11.14	-19.39	1	8	0	85	414.897	4	↓ MOL2 SDF SMILES Flexibase

49399908

Analogs

35425766
35425847
35425850

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[8-[(3S)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- N-(3-chloro-4-methyl-phenyl)-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)	2.81	10.81	-16.14	1	8	0	85	414.897	4	↓ MOL2 SDF SMILES Flexibase

49399911

Analogs

35425578
35425847
35425874

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[8-[(3R)-3-methyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- N-(3-chloro-4-methyl-phenyl)-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)	2.81	10.83	-16.23	1	8	0	85	414.897	4	↓ MOL2 SDF SMILES Flexibase

49400160

Analogs

35425465
35425519
35425784

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-isopropylphen 2-[8-[(3S,5R)-3,5-dimethyl-1-pip…

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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)	3.72	12.23	-17.1	1	8	0	85	422.533	5	↓ MOL2 SDF SMILES Flexibase

49400164

Analogs

35425465
35425519
35425784
35425908

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-isopropylphen 2-[8-[(3S,5S)-3,5-dimethyl-1-pip…

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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)	3.72	12.39	-17.16	1	8	0	85	422.533	5	↓ MOL2 SDF SMILES Flexibase

49400167

Analogs

35425465
35425519
35425784
35425908

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-isopropylphen 2-[8-[(3R,5R)-3,5-dimethyl-1-pip…

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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)	3.72	12.4	-17.17	1	8	0	85	422.533	5	↓ MOL2 SDF SMILES Flexibase

49400170

Analogs

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Popular Name: N-(4-butylphenyl)-2-[8-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]a N-(4-butylphenyl)-2-[8-[(3S,5R)-…

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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)	4.09	13.28	-17	1	8	0	85	436.56	7	↓ MOL2 SDF SMILES Flexibase

49400174

Analogs

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Popular Name: N-(4-butylphenyl)-2-[8-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]a N-(4-butylphenyl)-2-[8-[(3S,5S)-…

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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)	4.09	13.47	-16.75	1	8	0	85	436.56	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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