ZINC 12

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ZINC Item

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61698565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(3-cyclopropy…

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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)	3.18	9.04	-50.26	2	3	1	34	276.791	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.18	7.87	-6.91	1	3	0	30	275.783	4	↓ MOL2 SDF SMILES Flexibase

61698566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(3-cyclopropy…

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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)	3.18	9.05	-49.51	2	3	1	34	276.791	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.18	7.87	-7.84	1	3	0	30	275.783	4	↓ MOL2 SDF SMILES Flexibase

61698567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-(3-cyclopropy…

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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)	3.56	9.88	-48.76	2	3	1	34	290.818	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.56	8.8	-7.35	1	3	0	30	289.81	5	↓ MOL2 SDF SMILES Flexibase

61698568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-(3-cyclopropy…

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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)	3.56	9.89	-48.01	2	3	1	34	290.818	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.56	8.78	-6.56	1	3	0	30	289.81	5	↓ MOL2 SDF SMILES Flexibase

61698569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(3-cyclopr…

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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)	4.06	10.66	-49.7	2	3	1	34	304.845	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.06	9.55	-7.31	1	3	0	30	303.837	6	↓ MOL2 SDF SMILES Flexibase

61698570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(3-cyclopr…

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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)	4.06	10.64	-48.96	2	3	1	34	304.845	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.06	9.53	-6.51	1	3	0	30	303.837	6	↓ MOL2 SDF SMILES Flexibase

61698571

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.93	7.28	-56.2	3	3	1	45	262.764	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.93	6.95	-8.03	2	3	0	44	261.756	3	↓ MOL2 SDF SMILES Flexibase

61698572

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.93	7.27	-55.28	3	3	1	45	262.764	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.93	6.97	-7.02	2	3	0	44	261.756	3	↓ MOL2 SDF SMILES Flexibase

61698573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-bromo-4-(3-cyclopropylpyrazol-1-yl)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(3-cyclopropyl…

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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)	3.31	9.17	-49.96	2	3	1	34	321.242	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.31	8	-6.54	1	3	0	30	320.234	4	↓ MOL2 SDF SMILES Flexibase

61698574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-(3-cyclopropylpyrazol-1-yl)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(3-cyclopropyl…

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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)	3.31	9.18	-49.15	2	3	1	34	321.242	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.31	8.01	-7.47	1	3	0	30	320.234	4	↓ MOL2 SDF SMILES Flexibase

61698575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-bromo-4-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(3-cyclopropyl…

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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)	3.69	10.03	-48.46	2	3	1	34	335.269	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.69	8.93	-6.95	1	3	0	30	334.261	5	↓ MOL2 SDF SMILES Flexibase

61698576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-(3-cyclopropyl…

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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)	3.69	10.01	-47.71	2	3	1	34	335.269	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.69	8.91	-6.2	1	3	0	30	334.261	5	↓ MOL2 SDF SMILES Flexibase

61698577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[3-bromo-4-(3-cyclopropylpyrazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(3-cyclopro…

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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)	4.19	10.79	-49.4	2	3	1	34	349.296	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	9.69	-6.92	1	3	0	30	348.288	6	↓ MOL2 SDF SMILES Flexibase

61698578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[3-bromo-4-(3-cyclopropylpyrazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(3-cyclopro…

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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)	4.19	10.78	-48.67	2	3	1	34	349.296	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	9.67	-6.08	1	3	0	30	348.288	6	↓ MOL2 SDF SMILES Flexibase

61698579

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.06	7.41	-55.84	3	3	1	45	307.215	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.06	7.08	-7.65	2	3	0	44	306.207	3	↓ MOL2 SDF SMILES Flexibase

61698580

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.06	7.4	-54.99	3	3	1	45	307.215	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.06	7.11	-6.66	2	3	0	44	306.207	3	↓ MOL2 SDF SMILES Flexibase

35637495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-5-propyl-1-(p-tolyl)pyrazole-4-carboxylic 3-cyclopropyl-5-propyl-1-(p-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)	3.49	10.85	-53.35	0	4	-1	58	283.351	5	↓ MOL2 SDF SMILES Flexibase

35637496

Analogs

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Popular Name: 3-cyclopropyl-1-(4-fluorophenyl)-5-propyl-pyrazole-4-carboxylic 3-cyclopropyl-1-(4-fluorophenyl)…

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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)	3.21	10.25	-49.85	0	4	-1	58	287.314	5	↓ MOL2 SDF SMILES Flexibase

35637499

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-cyclopropyl-5-isopropyl-pyrazole-4-carboxylic 1-(3-chlorophenyl)-3-cyclopropyl…

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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)	3.89	10.18	-47.49	0	4	-1	58	303.769	4	↓ MOL2 SDF SMILES Flexibase

35637504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-3-cyclopropyl-5-methyl-pyrazole-4-carboxylic 1-(2-chlorophenyl)-3-cyclopropyl…

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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	9.43	-53.58	0	4	-1	58	275.715	3	↓ MOL2 SDF SMILES Flexibase

35637505

Analogs

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Popular Name: 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-pyrazole-4-carboxylic 3-cyclopropyl-1-(4-methoxyphenyl…

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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)	2.03	7.99	-51.33	0	5	-1	67	271.296	4	↓ MOL2 SDF SMILES Flexibase

35637506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-1-(3-fluorophenyl)-5-propyl-pyrazole-4-carboxylic 3-cyclopropyl-1-(3-fluorophenyl)…

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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)	3.40	10.25	-52.46	0	4	-1	58	287.314	5	↓ MOL2 SDF SMILES Flexibase

35637512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-5-ethyl-1-(p-tolyl)pyrazole-4-carboxylic 3-cyclopropyl-5-ethyl-1-(p-tolyl…

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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)	2.99	10.07	-52.72	0	4	-1	58	269.324	4	↓ MOL2 SDF SMILES Flexibase

35637513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-5-ethyl-1-(o-tolyl)pyrazole-4-carboxylic 3-cyclopropyl-5-ethyl-1-(o-tolyl…

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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)	3.16	10.35	-52.94	0	4	-1	58	269.324	4	↓ MOL2 SDF SMILES Flexibase

35637524

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-cyclopropyl-5-ethyl-pyrazole-4-carboxylic 1-(2-chlorophenyl)-3-cyclopropyl…

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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)	3.38	10.12	-54.19	0	4	-1	58	289.742	4	↓ MOL2 SDF SMILES Flexibase

35637525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-5-ethyl-1-(m-tolyl)pyrazole-4-carboxylic 3-cyclopropyl-5-ethyl-1-(m-tolyl…

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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)	3.18	10.06	-53.19	0	4	-1	58	269.324	4	↓ MOL2 SDF SMILES Flexibase

35637937

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-cyclopropyl-N-isobutyl-5-propyl-pyrazole-4-carboxamide 1-(3-chlorophenyl)-3-cyclopropyl…

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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)	4.65	10.79	-9.68	1	4	0	47	359.901	7	↓ MOL2 SDF SMILES Flexibase

35637939

Analogs

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Popular Name: 3-cyclopropyl-N-(2-dimethylaminoethyl)-1-(o-tolyl)-5-propyl-pyrazole-4-carboxamide 3-cyclopropyl-N-(2-dimethylamino…

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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)	3.31	11.02	-45.66	2	5	1	51	355.506	8	↓ MOL2 SDF SMILES Flexibase

35637954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-N-isobutyl-5-isopropyl-1-phenyl-pyrazole-4-carboxamide 3-cyclopropyl-N-isobutyl-5-isopr…

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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)	3.77	10.26	-10.52	1	4	0	47	325.456	6	↓ MOL2 SDF SMILES Flexibase

35637968

Analogs

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Popular Name: 3-cyclopropyl-1-(3,4-dichlorophenyl)-N-(2-dimethylaminoethyl)-5-methyl-pyrazole-4-carboxamide 3-cyclopropyl-1-(3,4-dichlorophe…

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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)	3.12	9.52	-46.68	2	5	1	51	382.315	6	↓ MOL2 SDF SMILES Flexibase

35637969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-N-isobutyl-1-(m-tolyl)-5-propyl-pyrazole-4-carboxamide 3-cyclopropyl-N-isobutyl-1-(m-to…

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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)	4.43	10.93	-9.81	1	4	0	47	339.483	7	↓ MOL2 SDF SMILES Flexibase

35637997

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-cyclopropyl-N-isobutyl-5-isopropyl-pyrazole-4-carboxamide 1-(4-chlorophenyl)-3-cyclopropyl…

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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	10.78	-8.94	1	4	0	47	359.901	6	↓ MOL2 SDF SMILES Flexibase

35638026

Analogs

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Popular Name: 3-cyclopropyl-5-ethyl-N-isobutyl-1-(o-tolyl)pyrazole-4-carboxamide 3-cyclopropyl-5-ethyl-N-isobutyl…

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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)	3.90	10.47	-10.02	1	4	0	47	325.456	6	↓ MOL2 SDF SMILES Flexibase

35638057

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-cyclopropyl-5-ethyl-N-isobutyl-pyrazole-4-carboxamide 1-(4-chlorophenyl)-3-cyclopropyl…

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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)	3.96	10.01	-8.59	1	4	0	47	345.874	6	↓ MOL2 SDF SMILES Flexibase

35638066

Analogs

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Popular Name: 3-cyclopropyl-N-(2-dimethylaminoethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole-4-carboxamide 3-cyclopropyl-N-(2-dimethylamino…

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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	9.34	-46.76	2	5	1	51	345.442	7	↓ MOL2 SDF SMILES Flexibase

35638093

Analogs

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Popular Name: 3-cyclopropyl-N-isopropyl-5-methyl-1-(p-tolyl)pyrazole-4-carboxamide 3-cyclopropyl-N-isopropyl-5-meth…

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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)	2.71	8.76	-10.59	1	4	0	47	297.402	4	↓ MOL2 SDF SMILES Flexibase

35638095

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-cyclopropyl-N-isopropyl-5-methyl-pyrazole-4-carboxamide 1-(3-chlorophenyl)-3-cyclopropyl…

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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)	3.13	8.6	-10.9	1	4	0	47	317.82	4	↓ MOL2 SDF SMILES Flexibase

35638126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-N,5-diisopropyl-1-(p-tolyl)pyrazole-4-carboxamide 3-cyclopropyl-N,5-diisopropyl-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)	3.77	10.21	-10.61	1	4	0	47	325.456	5	↓ MOL2 SDF SMILES Flexibase

35638145

Analogs

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Popular Name: 3-cyclopropyl-1-(3-fluorophenyl)-N-isopropyl-5-methyl-pyrazole-4-carboxamide 3-cyclopropyl-1-(3-fluorophenyl)…

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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)	2.62	8.16	-11.63	1	4	0	47	301.365	4	↓ MOL2 SDF SMILES Flexibase

35638191

Analogs

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Popular Name: 3-cyclopropyl-5-ethyl-N-isopropyl-1-(4-nitrophenyl)pyrazole-4-carboxamide 3-cyclopropyl-5-ethyl-N-isopropy…

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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)	2.80	9.5	-10.91	1	7	0	93	342.399	6	↓ MOL2 SDF SMILES Flexibase

35638197

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-isopropyl-pyrazole-4-carboxamide 1-(3-chlorophenyl)-3-cyclopropyl…

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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)	3.70	9.3	-10.4	1	4	0	47	331.847	5	↓ MOL2 SDF SMILES Flexibase

35638220

Analogs

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Popular Name: 3-cyclopropyl-5-ethyl-N-isopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxamide 3-cyclopropyl-5-ethyl-N-isopropy…

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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)	2.89	8.08	-10.58	1	5	0	56	327.428	6	↓ MOL2 SDF SMILES Flexibase

35638222

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-cyclopropyl-5-ethyl-N-isopropyl-pyrazole-4-carboxamide 1-(4-chlorophenyl)-3-cyclopropyl…

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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)	3.52	9.3	-9.05	1	4	0	47	331.847	5	↓ MOL2 SDF SMILES Flexibase

52853175

Analogs

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Popular Name: 5-cyclopropyl-N-[3-(2-methoxyethoxy)propyl]-2-phenyl-pyrazole-3-carboxamide 5-cyclopropyl-N-[3-(2-methoxyeth…

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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)	1.73	6.72	-13.21	1	6	0	65	343.427	10	↓ MOL2 SDF SMILES Flexibase

52855608

Analogs

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Popular Name: 4-(3-cyclopropylpyrazol-1-yl)-3-(trifluoromethyl)aniline 4-(3-cyclopropylpyrazol-1-yl)-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)	2.36	7.09	-11.66	2	3	0	44	267.254	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.36	7.21	-25.4	3	3	1	45	268.262	3	↓ MOL2 SDF SMILES Flexibase

52855612

Analogs

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Popular Name: 4-(3-cyclopropylpyrazol-1-yl)-2-(trifluoromethyl)aniline 4-(3-cyclopropylpyrazol-1-yl)-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)	2.77	6.8	-9.96	2	3	0	44	267.254	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.77	6.95	-28.51	3	3	1	45	268.262	3	↓ MOL2 SDF SMILES Flexibase

52855614

Analogs

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Popular Name: 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline 5-bromo-2-(3-cyclopropylpyrazol-…

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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	6.75	-5.18	2	3	0	44	278.153	2	↓ MOL2 SDF SMILES Flexibase

52855620

Analogs

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Popular Name: 3-amino-4-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide 3-amino-4-(3-cyclopropylpyrazol-…

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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)	0.56	1.09	-12.18	4	6	0	104	278.337	3	↓ MOL2 SDF SMILES Flexibase

52855623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-cyclopropylpyrazol-1-yl)-3-methyl-aniline 4-(3-cyclopropylpyrazol-1-yl)-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)	1.91	6.6	-7.32	2	3	0	44	213.284	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.91	6.27	-24.14	3	3	1	45	214.292	2	↓ MOL2 SDF SMILES Flexibase

52855625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-(3-cyclopropylpyrazol-1-yl)-N,N-dimethyl-benzenesulfonamide 3-amino-4-(3-cyclopropylpyrazol-…

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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	4.12	-11.59	2	6	0	81	306.391	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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