ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

44242569

Analogs

49538581

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-4-iodo-1H-pyrazole-3-carboxylic 5-cyclopropyl-4-iodo-1H-pyrazole…

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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	4.73	-38.87	1	4	-1	69	277.041	2	↓ MOL2 SDF SMILES Flexibase

44242604

Analogs

18161790

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-cyclopropyl-1H-pyrazole-5-carboxylic acid 4-chloro-3-cyclopropyl-1H-pyrazo…

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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	4.21	-40.35	1	4	-1	69	185.59	2	↓ MOL2 SDF SMILES Flexibase

35637497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-1-methyl-5-propyl-pyrazole-4-carboxylic 3-cyclopropyl-1-methyl-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)	1.77	6.88	-52.6	0	4	-1	58	207.253	4	↓ MOL2 SDF SMILES Flexibase

35637500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-5-isopropyl-1-methyl-pyrazole-4-carboxylic 3-cyclopropyl-5-isopropyl-1-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)	1.75	6.36	-53.24	0	4	-1	58	207.253	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.75	6.47	-40.53	1	4	0	59	208.261	3	↓ MOL2 SDF SMILES Flexibase

35637514

Analogs

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Popular Name: 3-cyclopropyl-5-ethyl-1-methyl-pyrazole-4-carboxylic 3-cyclopropyl-5-ethyl-1-methyl-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)	1.27	6.1	-52.2	0	4	-1	58	193.226	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.27	6.21	-40.57	1	4	0	59	194.234	3	↓ MOL2 SDF SMILES Flexibase

35637941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-N-isobutyl-1-methyl-5-propyl-pyrazole-4-carboxamide 3-cyclopropyl-N-isobutyl-1-methy…

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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)	2.51	6.98	-10.12	1	4	0	47	263.385	6	↓ MOL2 SDF SMILES Flexibase

35637943

Analogs

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Popular Name: 3-cyclopropyl-N-(2-dimethylaminoethyl)-1-methyl-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)	1.42	6.76	-45.15	2	5	1	51	279.408	7	↓ MOL2 SDF SMILES Flexibase

12012332

Analogs

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Popular Name: 5-cyclopropyl-2-(2-dimethylamino-2-oxo-ethyl)-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-(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)	-0.44	0.36	-17.56	0	6	0	58	264.329	4	↓ MOL2 SDF SMILES Flexibase

12012333

Analogs

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Popular Name: 5-cyclopropyl-2-(2-diethylamino-2-oxo-ethyl)-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-(2-diethylamino-…

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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)	0.75	1.09	-14.86	0	6	0	58	292.383	6	↓ MOL2 SDF SMILES Flexibase

12012341

Analogs

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Popular Name: 5-cyclopropyl-2-[2-(2-hydroxyethyl-methyl-amino)-2-oxo-ethyl]-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-[2-(2-hydroxyeth…

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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)	-0.63	-1.99	-16.68	1	7	0	79	294.355	6	↓ MOL2 SDF SMILES Flexibase

12012406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-N,N-dimethyl-2-(2-methylamino-2-oxo-ethyl)pyrazole-3-carboxamide 5-cyclopropyl-N,N-dimethyl-2-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.24	-1.38	-16.82	1	6	0	67	250.302	4	↓ MOL2 SDF SMILES Flexibase

12012407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-2-(2-ethylamino-2-oxo-ethyl)-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-(2-ethylamino-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.13	-1.25	-16.1	1	6	0	67	264.329	5	↓ MOL2 SDF SMILES Flexibase

12012408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-N,N-dimethyl-2-(2-oxo-2-propylamino-ethyl)pyrazole-3-carboxamide 5-cyclopropyl-N,N-dimethyl-2-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.64	-1.21	-16.15	1	6	0	67	278.356	6	↓ MOL2 SDF SMILES Flexibase

12012409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-butylamino-2-oxo-ethyl)-5-cyclopropyl-N,N-dimethyl-pyrazole-3-carboxamide 2-(2-butylamino-2-oxo-ethyl)-5-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)	1.20	-1.09	-16.02	1	6	0	67	292.383	7	↓ MOL2 SDF SMILES Flexibase

12012410

Analogs

12012414

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-2-[2-(isopropylamino)-2-oxo-ethyl]-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-[2-(isopropylami…

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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)	0.43	-0.7	-14.51	1	6	0	67	278.356	5	↓ MOL2 SDF SMILES Flexibase

12012411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-2-[2-(isobutylamino)-2-oxo-ethyl]-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-[2-(isobutylamin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.88	-0.71	-15.86	1	6	0	67	292.383	6	↓ MOL2 SDF SMILES Flexibase

12012412

Analogs

12012413
12012583

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-N,N-dimethyl-2-[2-oxo-2-(sec-butylamino)ethyl]pyrazole-3-carboxamide 5-cyclopropyl-N,N-dimethyl-2-[2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.97	-0.48	-16.2	1	6	0	67	292.383	6	↓ MOL2 SDF SMILES Flexibase

12012413

Analogs

12012583
12012412

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-N,N-dimethyl-2-[2-oxo-2-(sec-butylamino)ethyl]pyrazole-3-carboxamide 5-cyclopropyl-N,N-dimethyl-2-[2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.97	-0.41	-16.1	1	6	0	67	292.383	6	↓ MOL2 SDF SMILES Flexibase

12012414

Analogs

12012410

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(tert-butylamino)-2-oxo-ethyl]-5-cyclopropyl-N,N-dimethyl-pyrazole-3-carboxamide 2-[2-(tert-butylamino)-2-oxo-eth…

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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	-0.34	-13.72	1	6	0	67	292.383	5	↓ MOL2 SDF SMILES Flexibase

12012416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-2-[2-(2-methoxyethylamino)-2-oxo-ethyl]-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-[2-(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)	-0.26	-1.99	-17.3	1	7	0	76	294.355	7	↓ MOL2 SDF SMILES Flexibase

12012419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-2-[2-(3-hydroxypropylamino)-2-oxo-ethyl]-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-[2-(3-hydroxypro…

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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)	-0.60	-4.08	-17.08	2	7	0	87	294.355	7	↓ MOL2 SDF SMILES Flexibase

12012420

Analogs

12012421

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-2-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxo-ethyl]-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-[2-[[(2R)-2-hydr…

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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)	-0.51	-3.88	-16.06	2	7	0	87	294.355	6	↓ MOL2 SDF SMILES Flexibase

12012421

Analogs

12012420

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-2-[2-[[(2S)-2-hydroxypropyl]amino]-2-oxo-ethyl]-N,N-dimethyl-pyrazole-3-carboxamide 5-cyclopropyl-2-[2-[[(2S)-2-hydr…

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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)	-0.51	-3.95	-16.23	2	7	0	87	294.355	6	↓ MOL2 SDF SMILES Flexibase

12398830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-cyclopropyl-2-methyl-pyrazol-3-yl)methylsulfanyl]acetic 2-[(5-cyclopropyl-2-methyl-pyraz…

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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)	0.95	5.91	-47.96	0	4	-1	58	225.293	5	↓ MOL2 SDF SMILES Flexibase

12398837

Analogs

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Popular Name: 3-[(5-cyclopropyl-2-methyl-pyrazol-3-yl)methylsulfanyl]propanoic 3-[(5-cyclopropyl-2-methyl-pyraz…

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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	6.73	-46.03	0	4	-1	58	239.32	6	↓ MOL2 SDF SMILES Flexibase

12398844

Analogs

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Popular Name: 2-[(5-cyclopropyl-2-methyl-pyrazol-3-yl)methylsulfonyl]acetic 2-[(5-cyclopropyl-2-methyl-pyraz…

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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)	-0.17	-3.3	-60.32	0	6	-1	92	257.291	5	↓ MOL2 SDF SMILES Flexibase

12398851

Analogs

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Popular Name: 3-[(5-cyclopropyl-2-methyl-pyrazol-3-yl)methylsulfonyl]propanoic 3-[(5-cyclopropyl-2-methyl-pyraz…

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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)	0.10	-3.44	-54.53	0	6	-1	92	271.318	6	↓ MOL2 SDF SMILES Flexibase

12398858

Analogs

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Popular Name: 2-[(5-cyclopropyl-2-methyl-pyrazol-3-yl)methoxy]acetic 2-[(5-cyclopropyl-2-methyl-pyraz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.41	4.7	-50.75	0	5	-1	67	209.225	5	↓ MOL2 SDF SMILES Flexibase

12398864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-cyclopropyl-2-methyl-pyrazol-3-yl)methoxy]propanoic 3-[(5-cyclopropyl-2-methyl-pyraz…

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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)	0.68	4.83	-46.45	0	5	-1	67	223.252	6	↓ MOL2 SDF SMILES Flexibase

12398870

Analogs

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Popular Name: 4-[(5-cyclopropyl-2-methyl-pyrazol-3-yl)methoxy]butanoic 4-[(5-cyclopropyl-2-methyl-pyraz…

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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)	0.95	5.59	-51.44	0	5	-1	67	237.279	7	↓ MOL2 SDF SMILES Flexibase

12398965

Analogs

32005548

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Popular Name: 5-cyclopropyl-2-ethyl-pyrazole-3-carbonitrile 5-cyclopropyl-2-ethyl-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)	1.34	5.43	-4.54	0	3	0	42	161.208	2	↓ MOL2 SDF SMILES Flexibase

12398988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole 3-cyclopropyl-1-(2,2,2-trifluoro…

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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	5.72	-8.98	0	2	0	18	190.168	3	↓ MOL2 SDF SMILES Flexibase

12399030

Analogs

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Popular Name: 2-[(5-cyclopropyl-2-methyl-pyrazol-3-yl)methoxy]ethanamine 2-[(5-cyclopropyl-2-methyl-pyraz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.03	2.51	-48.08	3	4	1	55	196.274	5	↓ MOL2 SDF SMILES Flexibase

36964348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-amino-3-[(1S,2R)-2-methylcyclopropyl]pyrazol-1-yl]ethanol 2-[5-amino-3-[(1S,2R)-2-methylcy…

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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	1.23	-7.17	3	4	0	64	181.239	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.56	1.36	-25.54	4	4	1	65	182.247	3	↓ MOL2 SDF SMILES Flexibase

36964349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-amino-3-[(1S,2S)-2-methylcyclopropyl]pyrazol-1-yl]ethanol 2-[5-amino-3-[(1S,2S)-2-methylcy…

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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	1.32	-7.29	3	4	0	64	181.239	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.56	1.49	-25.64	4	4	1	65	182.247	3	↓ MOL2 SDF SMILES Flexibase

36964350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-amino-3-[(1R,2R)-2-methylcyclopropyl]pyrazol-1-yl]ethanol 2-[5-amino-3-[(1R,2R)-2-methylcy…

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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	1.31	-7.32	3	4	0	64	181.239	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.56	1.48	-25.63	4	4	1	65	182.247	3	↓ MOL2 SDF SMILES Flexibase

36964351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-amino-3-[(1R,2S)-2-methylcyclopropyl]pyrazol-1-yl]ethanol 2-[5-amino-3-[(1R,2S)-2-methylcy…

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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	1.24	-7.2	3	4	0	64	181.239	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.56	1.35	-25.57	4	4	1	65	182.247	3	↓ MOL2 SDF SMILES Flexibase

15937378

Analogs

2538719

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromo-3-cyclopropyl-pyrazol-1-yl)propanoic (2S)-2-(4-bromo-3-cyclopropyl-py…

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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	5.37	-40.67	0	4	-1	58	258.095	3	↓ MOL2 SDF SMILES Flexibase

15937381

Analogs

2538720

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-cyclopropylpyrazol-1-yl)propanehydrazide (2S)-2-(3-cyclopropylpyrazol-1-y…

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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)	-1.01	1.93	-10.96	3	5	0	73	194.238	3	↓ MOL2 SDF SMILES Flexibase

15937384

Analogs

2538721

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chloro-3-cyclopropyl-pyrazol-1-yl)propanehydrazide (2S)-2-(4-chloro-3-cyclopropyl-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)	-0.40	2.53	-10.93	3	5	0	73	228.683	3	↓ MOL2 SDF SMILES Flexibase

15937387

Analogs

2538722

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromo-3-cyclopropyl-pyrazol-1-yl)propanehydrazide (2S)-2-(4-bromo-3-cyclopropyl-py…

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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)	-0.27	2.63	-10.84	3	5	0	73	273.134	3	↓ MOL2 SDF SMILES Flexibase

62667528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopropyl-N-methyl-1H-pyrazol-5-amine 3-cyclopropyl-N-methyl-1H-pyrazo…

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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)	0.89	3.05	-24.87	3	3	1	42	138.194	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.89	2.9	-5.63	2	3	0	41	137.186	2	↓ MOL2 SDF SMILES Flexibase

69684335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-2-(2-methylsulfonylethyl)pyrazole-3-sulfonamide 5-cyclopropyl-2-(2-methylsulfony…

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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)	-0.64	-2.43	-20.67	2	7	0	112	293.37	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.64	-1.96	-47.36	1	7	-1	110	292.362	5	↓ MOL2 SDF SMILES Flexibase

70327475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-cyclopropylpyrazol-1-yl)hexanehydrazide 6-(3-cyclopropylpyrazol-1-yl)hex…

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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)	0.18	4.52	-16.34	3	5	0	73	236.319	7	↓ MOL2 SDF SMILES Flexibase

48793330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-5-cyclopropyl-N-(2-ethoxyethyl)pyrazole-3-carboxamide 2-tert-butyl-5-cyclopropyl-N-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.95	5.41	-7.3	1	5	0	56	279.384	7	↓ MOL2 SDF SMILES Flexibase

49581128

Analogs

38220197

Draw Identity 99% 90% 80% 70%

Popular Name: (3-cyclopropyl-1h-pyrazol-5-yl)methanol (3-cyclopropyl-1h-pyrazol-5-yl)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)	0.48	0.4	-6.46	2	3	0	49	138.17	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.48	0.36	-7.6	2	3	0	49	138.17	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 5765
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 = 5765 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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