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ZINC Item

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61698595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-chloro-4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(4-phenylpyra…

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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	8.72	-57.08	3	3	1	45	298.797	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	8.4	-7.98	2	3	0	44	297.789	3	↓ MOL2 SDF SMILES Flexibase

61698596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(4-phenylpyra…

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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	8.72	-56.18	3	3	1	45	298.797	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	8.42	-7.05	2	3	0	44	297.789	3	↓ MOL2 SDF SMILES Flexibase

61698597

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(4-phenylpyraz…

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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	8.87	-56.78	3	3	1	45	343.248	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	8.55	-7.71	2	3	0	44	342.24	3	↓ MOL2 SDF SMILES Flexibase

61698598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(4-phenylpyraz…

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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	8.87	-55.94	3	3	1	45	343.248	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	8.57	-6.75	2	3	0	44	342.24	3	↓ MOL2 SDF SMILES Flexibase

34560391

Analogs

2559778

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-4-(4-bromophenyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile 5-amino-4-(4-bromophenyl)-1-[2,6…

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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)	6.32	11.18	-6.98	2	4	0	68	476.083	3	↓ MOL2 SDF SMILES Flexibase

34560392

Analogs

2559778

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-4-(4-chlorophenyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile 5-amino-4-(4-chlorophenyl)-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)	6.19	11.07	-7.01	2	4	0	68	431.632	3	↓ MOL2 SDF SMILES Flexibase

34560393

Analogs

2559778

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)pyrazole-3-carbonitrile 5-amino-1-[2,6-dichloro-4-(trifl…

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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)	5.68	10.62	-7.49	2	4	0	68	415.177	3	↓ MOL2 SDF SMILES Flexibase

34560394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-4-(3-chloro-4-fluoro-phenyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitri 5-amino-4-(3-chloro-4-fluoro-phe…

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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)	6.29	11.11	-7.41	2	4	0	68	449.622	3	↓ MOL2 SDF SMILES Flexibase

36124590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-5-propyl-2-(p-tolyl)pyrazol-3-yl] [4-(4-acetamidophenyl)-5-propyl-…

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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)	4.62	11.67	-19.63	1	6	0	73	391.471	7	↓ MOL2 SDF SMILES Flexibase

36124599

Analogs

35742512

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3-methylbutanoylamino)phenyl]-5-propyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-(3-methylbutanoylamino)phe…

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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)	6.23	13.83	-18.72	1	6	0	73	433.552	9	↓ MOL2 SDF SMILES Flexibase

36124611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-[(2-methoxyacetyl)amino]phenyl]-5-propyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-[(2-methoxyacetyl)amino]ph…

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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)	4.56	11.75	-22.46	1	7	0	82	421.497	9	↓ MOL2 SDF SMILES Flexibase

36124620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-phenyl-5-propyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-phenyl-…

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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)	4.17	10.99	-20.05	1	6	0	73	377.444	7	↓ MOL2 SDF SMILES Flexibase

36124637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(4-fluorophenyl)-5-propyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(4-fluo…

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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)	4.33	11.06	-17.68	1	6	0	73	395.434	7	↓ MOL2 SDF SMILES Flexibase

36124639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(o-tolyl)-5-propyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(o-toly…

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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)	4.78	11.99	-19.68	1	6	0	73	391.471	7	↓ MOL2 SDF SMILES Flexibase

36124641

Analogs

35742526

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(o-tolyl)-4-[4-(propanoylamino)phenyl]-5-propyl-pyrazol-3-yl] [2-(o-tolyl)-4-[4-(propanoylamin…

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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)	5.62	12.8	-19.34	1	6	0	73	405.498	8	↓ MOL2 SDF SMILES Flexibase

36124651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(3-fluorophenyl)-5-propyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(3-fluo…

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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)	4.52	11.05	-20.45	1	6	0	73	395.434	7	↓ MOL2 SDF SMILES Flexibase

36124656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3-methylbutanoylamino)phenyl]-2-(m-tolyl)-5-propyl-pyrazol-3-yl] [4-[4-(3-methylbutanoylamino)phe…

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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)	6.42	13.82	-19.03	1	6	0	73	433.552	9	↓ MOL2 SDF SMILES Flexibase

36124658

Analogs

35742535

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(m-tolyl)-4-[4-(propanoylamino)phenyl]-5-propyl-pyrazol-3-yl] [2-(m-tolyl)-4-[4-(propanoylamin…

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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)	5.64	12.46	-19.73	1	6	0	73	405.498	8	↓ MOL2 SDF SMILES Flexibase

36124659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-2-(m-tolyl)-5-propyl-pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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)	6.74	14.34	-18.2	1	6	0	73	447.579	9	↓ MOL2 SDF SMILES Flexibase

36124879

Analogs

35742579

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(2-methylpropan…

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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)	5.94	13.73	-16.66	1	6	0	73	433.552	8	↓ MOL2 SDF SMILES Flexibase

36124887

Analogs

35742581

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(3-methylbutanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(3-methylbutano…

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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)	6.47	14.42	-16.54	1	6	0	73	447.579	9	↓ MOL2 SDF SMILES Flexibase

36124889

Analogs

35742579

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(propanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(propanoylamino…

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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)	5.70	12.74	-17.17	1	6	0	73	419.525	8	↓ MOL2 SDF SMILES Flexibase

36124897

Analogs

35742581

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-5-isobutyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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)	6.79	14.61	-15.58	1	6	0	73	461.606	9	↓ MOL2 SDF SMILES Flexibase

36124917

Analogs

35742579

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-2-phenyl-4-[4-(propanoylamino)phenyl]pyrazol-3-yl] [5-isobutyl-2-phenyl-4-[4-(propa…

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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)	5.25	12.4	-17.74	1	6	0	73	405.498	8	↓ MOL2 SDF SMILES Flexibase

36124922

Analogs

35742576

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenyl-pyrazol-3-yl] [5-isobutyl-4-[4-[(2-methoxyacet…

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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)	4.36	11.66	-22.59	1	7	0	82	421.497	9	↓ MOL2 SDF SMILES Flexibase

36124928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(4-fluorophenyl)-5-isobutyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(4-fluo…

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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)	4.58	11.29	-17.17	1	6	0	73	409.461	7	↓ MOL2 SDF SMILES Flexibase

36124942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-5-isobutyl-2-(m-tolyl)pyrazol-3-yl] [4-(4-acetamidophenyl)-5-isobuty…

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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)	5.05	12.25	-17.87	1	6	0	73	405.498	7	↓ MOL2 SDF SMILES Flexibase

36124944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(m-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(2-methylpropan…

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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)	6.13	13.71	-17.03	1	6	0	73	433.552	8	↓ MOL2 SDF SMILES Flexibase

36124949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(3-methylbutanoylamino)phenyl]-2-(m-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(3-methylbutano…

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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)	6.66	14.41	-16.9	1	6	0	73	447.579	9	↓ MOL2 SDF SMILES Flexibase

36124951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-2-(m-tolyl)-4-[4-(propanoylamino)phenyl]pyrazol-3-yl] [5-isobutyl-2-(m-tolyl)-4-[4-(pr…

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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)	5.89	12.73	-17.53	1	6	0	73	419.525	8	↓ MOL2 SDF SMILES Flexibase

36145263

Analogs

37266835

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-5-isopropyl-2-(p-tolyl)pyrazol-3-yl] [4-(4-acetamidophenyl)-5-isoprop…

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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)	4.60	11.47	-17.74	1	6	0	73	391.471	6	↓ MOL2 SDF SMILES Flexibase

36145264

Analogs

36145282

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isopropyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isopropyl-4-[4-(2-methylpropa…

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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)	5.68	12.95	-16.94	1	6	0	73	419.525	7	↓ MOL2 SDF SMILES Flexibase

36145269

Analogs

36145271
36145285
36145287

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isopropyl-4-[4-(3-methylbutanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isopropyl-4-[4-(3-methylbutan…

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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)	6.21	13.65	-16.7	1	6	0	73	433.552	8	↓ MOL2 SDF SMILES Flexibase

36145271

Analogs

36145285
36145287
36145269

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-5-isopropyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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)	6.53	14.17	-16.03	1	6	0	73	447.579	8	↓ MOL2 SDF SMILES Flexibase

36145282

Analogs

36145264

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isopropyl-4-[4-(2-methylpropanoylamino)phenyl]-2-phenyl-pyrazol-3-yl] [5-isopropyl-4-[4-(2-methylpropa…

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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)	5.23	12.26	-19.17	1	6	0	73	405.498	7	↓ MOL2 SDF SMILES Flexibase

36145285

Analogs

36145287
36145269
36145271

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isopropyl-4-[4-(3-methylbutanoylamino)phenyl]-2-phenyl-pyrazol-3-yl] [5-isopropyl-4-[4-(3-methylbutan…

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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)	5.76	12.98	-17.3	1	6	0	73	419.525	8	↓ MOL2 SDF SMILES Flexibase

36145287

Analogs

36145269
36145271
36145285

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-5-isopropyl-2-phenyl-pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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)	6.08	13.48	-18.09	1	6	0	73	433.552	8	↓ MOL2 SDF SMILES Flexibase

36145298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(3-fluorophenyl)-5-isopropyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(3-fluo…

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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)	4.50	10.86	-20.39	1	6	0	73	395.434	6	↓ MOL2 SDF SMILES Flexibase

36145299

Analogs

37488249

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-fluorophenyl)-5-isopropyl-4-[4-(propanoylamino)phenyl]pyrazol-3-yl] [2-(3-fluorophenyl)-5-isopropyl-…

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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)	5.34	11.7	-18.2	1	6	0	73	409.461	7	↓ MOL2 SDF SMILES Flexibase

36145304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-fluorophenyl)-5-isopropyl-4-[4-[(2-methoxyacetyl)amino]phenyl]pyrazol-3-yl] [2-(3-fluorophenyl)-5-isopropyl-…

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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)	4.45	10.95	-23.21	1	7	0	82	425.46	8	↓ MOL2 SDF SMILES Flexibase

36145309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isopropyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(m-tolyl)pyrazol-3-yl] [5-isopropyl-4-[4-(2-methylpropa…

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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)	5.87	12.94	-17.26	1	6	0	73	419.525	7	↓ MOL2 SDF SMILES Flexibase

36145399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-ethyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-ethyl-4-[4-(2-methylpropanoyl…

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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)	5.20	12.36	-19.07	1	6	0	73	405.498	7	↓ MOL2 SDF SMILES Flexibase

36145403

Analogs

36145406

Draw Identity 99% 90% 80% 70%

Popular Name: [5-ethyl-4-[4-(3-methylbutanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-ethyl-4-[4-(3-methylbutanoyla…

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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)	5.73	13.06	-18.88	1	6	0	73	419.525	8	↓ MOL2 SDF SMILES Flexibase

36145406

Analogs

36145403

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-5-ethyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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)	6.05	13.57	-18.07	1	6	0	73	433.552	8	↓ MOL2 SDF SMILES Flexibase

22755020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,4-dimethoxyphenyl)-N-[(2R)-2-dimethylamino-3-methyl-butyl]-1-phenyl-pyrazole-3-carboxamide 4-(3,4-dimethoxyphenyl)-N-[(2R)-…

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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)	3.60	11.25	-45.07	2	7	1	70	437.564	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.60	9.3	-12.64	1	7	0	69	436.556	9	↓ MOL2 SDF SMILES Flexibase

22755025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-2-dimethylamino-3-methyl-butyl]-1-phenyl-pyrazole-3-carboxamide 4-(3,4-dimethoxyphenyl)-N-[(2S)-…

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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)	3.60	10.91	-45.03	2	7	1	70	437.564	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.60	8.62	-12.72	1	7	0	69	436.556	9	↓ MOL2 SDF SMILES Flexibase

23041215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,4-dimethoxyphenyl)-N-methoxy-1-phenyl-pyrazole-3-carboxamide 4-(3,4-dimethoxyphenyl)-N-methox…

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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)	2.42	7.82	-16.44	1	7	0	75	353.378	6	↓ MOL2 SDF SMILES Flexibase

62606184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-4-phenyl-pyrazole 1-(2-methoxyphenyl)-4-phenyl-pyr…

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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)	3.60	8.84	-10.08	0	3	0	27	250.301	3	↓ MOL2 SDF SMILES Flexibase

2986227

Analogs

4845713
5724269

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethyl-pyrazole 4-(3,4-dichlorophenyl)-1-(4-ethy…

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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)	6.03	2.75	-6.71	0	2	0	17	345.273	3	↓ MOL2 SDF SMILES Flexibase

3591524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-4-nitro-phenyl)-1-(4-fluorophenyl)pyrazole 4-(2-chloro-4-nitro-phenyl)-1-(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)	4.11	10.47	-10.24	0	5	0	64	317.707	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 2713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
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