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ZINC Item

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2781513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-2-methyl-pyrazole-3-carboxamide 4-chloro-N-(1,3-dimethylpyrazol-…

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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)	0.72	0.24	-9.87	1	6	0	64	253.693	2	↓ MOL2 SDF SMILES Flexibase

2781606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-2,5-dimethyl-pyrazole-3-carboxamide 4-chloro-N-(1-ethyl-3,5-dimethyl…

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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	0.6	-14.59	1	6	0	64	295.774	3	↓ MOL2 SDF SMILES Flexibase

2781710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-5-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide 4-chloro-2-methyl-5-(trifluorome…

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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)	2.08	4.68	-15.32	1	6	0	65	335.717	3	↓ MOL2 SDF SMILES Flexibase

2782086

Analogs

2782406

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-2-methyl-pyrazole-3-carboxamide 4-chloro-N-(1,5-dimethylpyrazol-…

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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)	0.72	2.92	-12.81	1	6	0	65	253.693	2	↓ MOL2 SDF SMILES Flexibase

2782118

Analogs

2782288

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-4-[(2-ethylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide 2-ethyl-4-[(2-ethylpyrazole-3-ca…

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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)	-0.30	-2.61	-12.87	3	8	0	107	276.3	5	↓ MOL2 SDF SMILES Flexibase

2782127

Analogs

2757003

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,5-dimethylpyrazol-4-yl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide N-(1,5-dimethylpyrazol-4-yl)-2,5…

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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)	0.22	0.99	-16.19	1	9	0	110	278.272	3	↓ MOL2 SDF SMILES Flexibase

2782288

Analogs

2782118

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide 2-ethyl-4-[(2-methylpyrazole-3-c…

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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)	-0.67	-2.7	-13.17	3	8	0	107	262.273	4	↓ MOL2 SDF SMILES Flexibase

2782289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-ethylpyrazole-3-carbonyl)amino]-2-methyl-pyrazole-3-carboxamide 4-[(2-ethylpyrazole-3-carbonyl)a…

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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)	-0.67	-2.68	-13.23	3	8	0	107	262.273	4	↓ MOL2 SDF SMILES Flexibase

2782364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[(2-ethylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide 1-ethyl-4-[(2-ethylpyrazole-3-ca…

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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)	-0.30	-2.31	-10.19	3	8	0	107	276.3	5	↓ MOL2 SDF SMILES Flexibase

2782406

Analogs

2778862
2781221
2782086

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide 4-chloro-2-methyl-N-(1,3,5-trime…

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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)	0.94	0.41	-14.6	1	6	0	64	267.72	2	↓ MOL2 SDF SMILES Flexibase

2782499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(3-carbamoyl-1-ethyl-pyrazol-4-yl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide 4-bromo-N-(3-carbamoyl-1-ethyl-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.20	-1.35	-10.59	3	8	0	107	409.166	5	↓ MOL2 SDF SMILES Flexibase

2782580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(5-carbamoyl-1-ethyl-pyrazol-4-yl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide 4-bromo-N-(5-carbamoyl-1-ethyl-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.20	-1.63	-14.26	3	8	0	107	409.166	5	↓ MOL2 SDF SMILES Flexibase

2782612

Analogs

2778662
2780458
2781157

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-carbamoyl-1-ethyl-pyrazol-4-yl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide N-(5-carbamoyl-1-ethyl-pyrazol-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)	-0.56	0.76	-17.6	3	11	0	154	321.297	5	↓ MOL2 SDF SMILES Flexibase

2782839

Analogs

2780562

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide 4-chloro-N-(1,5-dimethylpyrazol-…

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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)	1.10	0.21	-12.47	1	6	0	64	267.72	3	↓ MOL2 SDF SMILES Flexibase

2785933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide 2-methyl-N-[1-(2,2,2-trifluoroet…

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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)	0.82	2.3	-16.41	1	6	0	64	273.218	4	↓ MOL2 SDF SMILES Flexibase

2791324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide 2-(difluoromethyl)-N-[1-(2,2,2-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)	1.38	3.72	-15.68	1	6	0	64	309.198	5	↓ MOL2 SDF SMILES Flexibase

2793550

Analogs

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Popular Name: 4-[(4-bromo-2-ethyl-pyrazole-3-carbonyl)amino]-1-ethyl-N-propyl-pyrazole-3-carboxamide 4-[(4-bromo-2-ethyl-pyrazole-3-c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	-2.18	-9.77	2	8	0	93	397.277	7	↓ MOL2 SDF SMILES Flexibase

2793799

Analogs

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Popular Name: 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propyl-pyrazole-3-carboxamide 4-[[2-(difluoromethyl)pyrazole-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)	1.14	-0.48	-11.07	2	8	0	93	340.334	7	↓ MOL2 SDF SMILES Flexibase

2798500

Analogs

2779056

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-bromo-2-ethyl-pyrazole-3-carbonyl)amino]-1-ethyl-N-methyl-pyrazole-3-carboxamide 4-[(4-bromo-2-ethyl-pyrazole-3-c…

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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)	0.81	-2.35	-10.38	2	8	0	93	369.223	5	↓ MOL2 SDF SMILES Flexibase

2798850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-bromo-2-ethyl-pyrazole-3-carbonyl)amino]-1-ethyl-pyrazole-3-carboxylic-acid-methyl-ester 4-[(4-bromo-2-ethyl-pyrazole-3-c…

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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)	1.45	0.68	-9.7	1	8	0	91	370.207	6	↓ MOL2 SDF SMILES Flexibase

2798989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-ethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-3-carboxamide 4-bromo-2-ethyl-N-[1-methyl-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)	0.44	-2.4	-10.84	2	8	0	93	355.196	4	↓ MOL2 SDF SMILES Flexibase

2799028

Analogs

2780458

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-4-nitro-pyrazole-3-carboxamide N-(1,5-dimethylpyrazol-4-yl)-2-e…

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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)	0.38	0.79	-15.93	1	9	0	110	278.272	4	↓ MOL2 SDF SMILES Flexibase

2799307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide 4-bromo-2-ethyl-N-[1-(methoxymet…

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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	-1.66	-10.14	1	7	0	73	328.17	5	↓ MOL2 SDF SMILES Flexibase

2799594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-bromo-2-ethyl-pyrazole-3-carbonyl)amino]-2-methyl-N-propyl-pyrazole-3-carboxamide 4-[(4-bromo-2-ethyl-pyrazole-3-c…

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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)	1.32	-2.54	-11.12	2	8	0	93	383.25	6	↓ MOL2 SDF SMILES Flexibase

2800085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-bromo-2-ethyl-pyrazole-3-carbonyl)amino]-1-ethyl-N-isobutyl-pyrazole-3-carboxamide 4-[(4-bromo-2-ethyl-pyrazole-3-c…

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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)	1.94	-1.68	-9.55	2	8	0	93	411.304	7	↓ MOL2 SDF SMILES Flexibase

2800264

Analogs

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Popular Name: 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylic-acid-methyl-ester 4-[[2-(difluoromethyl)pyrazole-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)	0.90	2.39	-11.35	1	8	0	91	313.264	6	↓ MOL2 SDF SMILES Flexibase

2800325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethyl-pyrazole-3-carboxamide 4-[[2-(difluoromethyl)pyrazole-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)	-0.12	-0.69	-12.19	2	8	0	93	298.253	4	↓ MOL2 SDF SMILES Flexibase

2800617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-isobutyl-pyrazole-3-carboxamide 4-[[2-(difluoromethyl)pyrazole-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)	1.38	0.02	-10.86	2	8	0	93	354.361	7	↓ MOL2 SDF SMILES Flexibase

2800656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-methyl-pyrazole-3-carboxamide 4-[[2-(difluoromethyl)pyrazole-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)	0.26	-0.65	-11.69	2	8	0	93	312.28	5	↓ MOL2 SDF SMILES Flexibase

2800681

Analogs

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Popular Name: 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylic-acid-isopropyl-ester 4-[[2-(difluoromethyl)pyrazole-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)	1.64	2.61	-11.18	1	8	0	91	341.318	7	↓ MOL2 SDF SMILES Flexibase

40770660

Analogs

30870257
36734035

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide 2-ethyl-5-methyl-N-(1,3,5-trimet…

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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	4.85	-14.09	1	6	0	65	261.329	3	↓ MOL2 SDF SMILES Flexibase

40770662

Analogs

30870257
36734035

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-(1-ethyl-3,5-dimethyl-…

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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)	1.31	5.7	-13.87	1	6	0	65	275.356	4	↓ MOL2 SDF SMILES Flexibase

40770680

Analogs

36734035

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-(1-isopropyl-3,5-dimet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.67	6.39	-13.73	1	6	0	65	289.383	4	↓ MOL2 SDF SMILES Flexibase

40770766

Analogs

30870257
36734035

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Popular Name: 2-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)pyrazole-3-carboxamide 2-ethyl-5-methyl-N-(1-methylpyra…

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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)	0.49	3.44	-13.23	1	6	0	65	233.275	3	↓ MOL2 SDF SMILES Flexibase

40770768

Analogs

30870257
36734035

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Popular Name: 2-ethyl-N-(1-ethylpyrazol-4-yl)-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-(1-ethylpyrazol-4-yl)-…

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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)	0.87	4.29	-13.14	1	6	0	65	247.302	4	↓ MOL2 SDF SMILES Flexibase

40770770

Analogs

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Popular Name: 2-ethyl-N-(1-isopropylpyrazol-4-yl)-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-(1-isopropylpyrazol-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)	1.23	4.82	-12.35	1	6	0	65	261.329	4	↓ MOL2 SDF SMILES Flexibase

40771032

Analogs

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Popular Name: 4-chloro-2-ethyl-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide 4-chloro-2-ethyl-5-methyl-N-(1,3…

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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)	1.54	5.39	-14.4	1	6	0	65	295.774	3	↓ MOL2 SDF SMILES Flexibase

40771034

Analogs

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Popular Name: 4-chloro-2-ethyl-N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-(1-ethyl-3,5-…

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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)	1.92	6.23	-14.13	1	6	0	65	309.801	4	↓ MOL2 SDF SMILES Flexibase

40771054

Analogs

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Popular Name: 4-chloro-2-ethyl-N-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-(1-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)	2.28	6.93	-13.91	1	6	0	65	323.828	4	↓ MOL2 SDF SMILES Flexibase

40771150

Analogs

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Popular Name: 4-chloro-2-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)pyrazole-3-carboxamide 4-chloro-2-ethyl-5-methyl-N-(1-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)	1.10	3.85	-13.14	1	6	0	65	267.72	3	↓ MOL2 SDF SMILES Flexibase

40771152

Analogs

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Popular Name: 4-chloro-2-ethyl-N-(1-ethylpyrazol-4-yl)-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-(1-ethylpyraz…

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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	4.73	-12.68	1	6	0	65	281.747	4	↓ MOL2 SDF SMILES Flexibase

40771154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-ethyl-N-(1-isopropylpyrazol-4-yl)-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-(1-isopropylp…

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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)	1.84	5.23	-12.28	1	6	0	65	295.774	4	↓ MOL2 SDF SMILES Flexibase

49431186

Analogs

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Popular Name: N-(1-tert-butylpyrazol-4-yl)-3-methyl-1H-pyrazole-5-carboxamide N-(1-tert-butylpyrazol-4-yl)-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)	1.23	3.3	-12.49	2	6	0	76	247.302	3	↓ MOL2 SDF SMILES Flexibase

49431256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-tert-butylpyrazol-4-yl)-3-propyl-1H-pyrazole-5-carboxamide N-(1-tert-butylpyrazol-4-yl)-3-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	4.82	-12.15	2	6	0	76	275.356	5	↓ 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 = 181115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=181115&filter.purchasability=annotated

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', {
        "ring.id": "181115"        

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