ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

34753119

Analogs

45628385
45628386

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-cyclopentyl-3-ethyl-pyrazole-4-carbonitrile 5-amino-1-cyclopentyl-3-ethyl-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)	1.87	5.8	-7.31	2	4	0	68	204.277	2	↓ MOL2 SDF SMILES Flexibase

12015997

Analogs

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Popular Name: 1-cyclopentyl-N,N,3-trimethyl-pyrazole-4-carboxamide 1-cyclopentyl-N,N,3-trimethyl-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)	0.90	5.38	-11.09	0	4	0	38	221.304	2	↓ MOL2 SDF SMILES Flexibase

12015998

Analogs

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Popular Name: 1-cyclopentyl-N,N-diethyl-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N,N-diethyl-3-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)	1.66	7.1	-10.4	0	4	0	38	249.358	4	↓ MOL2 SDF SMILES Flexibase

12016000

Analogs

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Popular Name: 1-cyclopentyl-N,N-diisopropyl-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N,N-diisopropyl-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)	2.25	1.42	-11.28	0	4	0	38	277.412	4	↓ MOL2 SDF SMILES Flexibase

12016004

Analogs

12016009
12016022
12016023

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-1-cyclopentyl-N,3-dimethyl-pyrazole-4-carboxamide N-butyl-1-cyclopentyl-N,3-dimeth…

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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)	2.34	1.34	-10.57	0	4	0	38	263.385	5	↓ MOL2 SDF SMILES Flexibase

12016006

Analogs

12016007
12016011

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-(2-hydroxyethyl)-N,3-dimethyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(2-hydroxyethyl)…

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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	-1.22	-13.97	1	5	0	58	251.33	4	↓ MOL2 SDF SMILES Flexibase

12016007

Analogs

12016011
12016006

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N,N-bis(2-hydroxyethyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N,N-bis(2-hydroxye…

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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)	-0.36	-3.31	-17.54	2	6	0	79	281.356	6	↓ MOL2 SDF SMILES Flexibase

12016009

Analogs

12016022
12016023
12016004

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-1-cyclopentyl-N-ethyl-3-methyl-pyrazole-4-carboxamide N-butyl-1-cyclopentyl-N-ethyl-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)	2.72	1.8	-9.71	0	4	0	38	277.412	6	↓ MOL2 SDF SMILES Flexibase

12016011

Analogs

12016006
12016007

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-ethyl-N-(2-hydroxyethyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-ethyl-N-(2-hydro…

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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)	0.65	-1.1	-11.02	1	5	0	58	265.357	5	↓ MOL2 SDF SMILES Flexibase

12016068

Analogs

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Popular Name: N-(2-cyanoethyl)-1-cyclopentyl-N,3-dimethyl-pyrazole-4-carboxamide N-(2-cyanoethyl)-1-cyclopentyl-N…

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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)	0.36	2.29	-14.31	0	5	0	62	260.341	4	↓ MOL2 SDF SMILES Flexibase

12016070

Analogs

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Popular Name: 1-cyclopentyl-N-(2-hydroxyethyl)-N-isopropyl-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(2-hydroxyethyl)…

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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	-1.01	-11.27	1	5	0	58	279.384	5	↓ MOL2 SDF SMILES Flexibase

12016071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N,3-dimethyl-pyrazole-4-carboxamide 1-cyclopentyl-N,3-dimethyl-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)	1.13	3.78	-11.16	1	4	0	47	207.277	2	↓ MOL2 SDF SMILES Flexibase

12016072

Analogs

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Popular Name: 1-cyclopentyl-N-ethyl-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-ethyl-3-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)	1.51	4.62	-10.6	1	4	0	47	221.304	3	↓ MOL2 SDF SMILES Flexibase

12016073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-3-methyl-N-propyl-pyrazole-4-carboxamide 1-cyclopentyl-3-methyl-N-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)	2.01	-0.56	-10.49	1	4	0	47	235.331	4	↓ MOL2 SDF SMILES Flexibase

12016074

Analogs

12020098

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-1-cyclopentyl-3-methyl-pyrazole-4-carboxamide N-butyl-1-cyclopentyl-3-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)	2.57	-0.44	-10.34	1	4	0	47	249.358	5	↓ MOL2 SDF SMILES Flexibase

12016075

Analogs

12016079

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-isopropyl-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-isopropyl-3-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)	1.80	5.43	-10.6	1	4	0	47	235.331	3	↓ MOL2 SDF SMILES Flexibase

12016076

Analogs

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Popular Name: 1-cyclopentyl-N-isobutyl-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-isobutyl-3-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)	2.25	-0.07	-10.13	1	4	0	47	249.358	4	↓ MOL2 SDF SMILES Flexibase

12016077

Analogs

12016078

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-3-methyl-N-sec-butyl-pyrazole-4-carboxamide 1-cyclopentyl-3-methyl-N-sec-but…

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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)	2.34	0.24	-10.42	1	4	0	47	249.358	4	↓ MOL2 SDF SMILES Flexibase

12016078

Analogs

12016077

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-3-methyl-N-sec-butyl-pyrazole-4-carboxamide 1-cyclopentyl-3-methyl-N-sec-but…

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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)	2.34	0.24	-10.38	1	4	0	47	249.358	4	↓ MOL2 SDF SMILES Flexibase

12016079

Analogs

12016075

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-1-cyclopentyl-3-methyl-pyrazole-4-carboxamide N-tert-butyl-1-cyclopentyl-3-met…

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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)	2.32	0.23	-9.78	1	4	0	47	249.358	3	↓ MOL2 SDF SMILES Flexibase

12016080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-isopentyl-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-isopentyl-3-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)	2.78	-0.13	-10.34	1	4	0	47	263.385	5	↓ MOL2 SDF SMILES Flexibase

12016081

Analogs

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Popular Name: 1-cyclopentyl-N-(2-methoxyethyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(2-methoxyethyl)…

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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)	1.11	-1.31	-10.8	1	5	0	56	251.33	5	↓ MOL2 SDF SMILES Flexibase

12016082

Analogs

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Popular Name: 1-cyclopentyl-N-(3-methoxypropyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(3-methoxypropyl…

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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	-1.25	-10.86	1	5	0	56	265.357	6	↓ MOL2 SDF SMILES Flexibase

12016083

Analogs

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Popular Name: 1-cyclopentyl-N-(3-isopropoxypropyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(3-isopropoxypro…

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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)	2.12	-1	-10.66	1	5	0	56	293.411	7	↓ MOL2 SDF SMILES Flexibase

12016084

Analogs

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Popular Name: 1-cyclopentyl-N-(3-hydroxypropyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(3-hydroxypropyl…

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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)	0.77	-3.47	-11.48	2	5	0	67	251.33	5	↓ MOL2 SDF SMILES Flexibase

12016085

Analogs

12016086

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-[(2R)-2-hydroxypropyl]-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-[(2R)-2-hydroxyp…

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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)	0.86	-3.23	-11.64	2	5	0	67	251.33	4	↓ MOL2 SDF SMILES Flexibase

12016086

Analogs

12016085

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-[(2S)-2-hydroxypropyl]-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-[(2S)-2-hydroxyp…

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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)	0.86	-3.3	-11.79	2	5	0	67	251.33	4	↓ MOL2 SDF SMILES Flexibase

12016087

Analogs

12016088

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-[(1S)-1-(hydroxymethyl)propyl]-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-[(1S)-1-(hydroxy…

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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)	1.36	-2.51	-10.01	2	5	0	67	265.357	5	↓ MOL2 SDF SMILES Flexibase

12016088

Analogs

12016087

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-[(1R)-1-(hydroxymethyl)propyl]-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-[(1R)-1-(hydroxy…

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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)	1.36	-2.51	-9.98	2	5	0	67	265.357	5	↓ MOL2 SDF SMILES Flexibase

12016089

Analogs

12016090

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-[(1R)-2-methoxy-…

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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)	1.44	-0.61	-9.66	1	5	0	56	265.357	5	↓ MOL2 SDF SMILES Flexibase

12016090

Analogs

12016089

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-[(1S)-2-methoxy-…

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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)	1.44	-0.61	-9.61	1	5	0	56	265.357	5	↓ MOL2 SDF SMILES Flexibase

12016091

Analogs

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Popular Name: 1-cyclopentyl-N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-[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)	0.39	-4.12	-14.05	2	6	0	76	281.356	7	↓ MOL2 SDF SMILES Flexibase

12016092

Analogs

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Popular Name: 1-cyclopentyl-N-(3-ethoxypropyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(3-ethoxypropyl)…

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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)	1.76	-1.26	-10.77	1	5	0	56	279.384	7	↓ MOL2 SDF SMILES Flexibase

12016093

Analogs

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Popular Name: ethyl ethyl

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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)	1.37	0.24	-9.12	1	6	0	73	279.34	6	↓ MOL2 SDF SMILES Flexibase

12016094

Analogs

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Popular Name: 1-cyclopentyl-N-(2,2-dimethoxyethyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(2,2-dimethoxyet…

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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)	1.07	-1.43	-10.18	1	6	0	65	281.356	6	↓ MOL2 SDF SMILES Flexibase

12016096

Analogs

12016097

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-(2-dimethylaminoethyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-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)	1.16	-0.12	-46.98	2	5	1	51	265.381	5	↓ MOL2 SDF SMILES Flexibase

12016097

Analogs

12016096

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-(2-diethylaminoethyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(2-diethylaminoe…

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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	0.02	-45.22	2	5	1	51	293.435	7	↓ MOL2 SDF SMILES Flexibase

12016098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-N-(3-dimethylaminopropyl)-3-methyl-pyrazole-4-carboxamide 1-cyclopentyl-N-(3-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)	1.43	0.01	-47.69	2	5	1	51	279.408	6	↓ MOL2 SDF SMILES Flexibase

12020098

Analogs

12016074

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-3-methyl-N-pentyl-pyrazole-4-carboxamide 1-cyclopentyl-3-methyl-N-pentyl-…

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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)	3.07	-0.32	-10.39	1	4	0	47	263.385	6	↓ MOL2 SDF SMILES Flexibase

12026253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-cyclopentyl-N,N-dimethyl-pyrazole-4-carboxamide 3-tert-butyl-1-cyclopentyl-N,N-d…

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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)	2.63	1.7	-9.31	0	4	0	38	263.385	3	↓ MOL2 SDF SMILES Flexibase

12026292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-cyclopentyl-N-(2-hydroxyethyl)-N-methyl-pyrazole-4-carboxamide 3-tert-butyl-1-cyclopentyl-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)	1.99	-0.38	-11.65	1	5	0	58	293.411	5	↓ MOL2 SDF SMILES Flexibase

12026542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-cyclopentyl-N-methyl-pyrazole-4-carboxamide 3-tert-butyl-1-cyclopentyl-N-met…

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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)	2.85	0.09	-9.38	1	4	0	47	249.358	3	↓ MOL2 SDF SMILES Flexibase

12026546

Analogs

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Popular Name: 3-tert-butyl-1-cyclopentyl-N-ethyl-pyrazole-4-carboxamide 3-tert-butyl-1-cyclopentyl-N-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)	3.23	0.19	-8.89	1	4	0	47	263.385	4	↓ MOL2 SDF SMILES Flexibase

12026556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-cyclopentyl-N-isopropyl-pyrazole-4-carboxamide 3-tert-butyl-1-cyclopentyl-N-iso…

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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)	3.53	0.69	-8.74	1	4	0	47	277.412	4	↓ MOL2 SDF SMILES Flexibase

12026577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-cyclopentyl-N-(2-methoxyethyl)pyrazole-4-carboxamide 3-tert-butyl-1-cyclopentyl-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)	2.84	-0.47	-9.18	1	5	0	56	293.411	6	↓ MOL2 SDF SMILES Flexibase

12026587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-cyclopentyl-N-(3-hydroxypropyl)pyrazole-4-carboxamide 3-tert-butyl-1-cyclopentyl-N-(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)	2.49	-2.64	-9.94	2	5	0	67	293.411	6	↓ MOL2 SDF SMILES Flexibase

12026590

Analogs

12026593

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-cyclopentyl-N-[(2R)-2-hydroxypropyl]pyrazole-4-carboxamide 3-tert-butyl-1-cyclopentyl-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)	2.58	-2.4	-9.98	2	5	0	67	293.411	5	↓ MOL2 SDF SMILES Flexibase

12026593

Analogs

12026590

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-cyclopentyl-N-[(2S)-2-hydroxypropyl]pyrazole-4-carboxamide 3-tert-butyl-1-cyclopentyl-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)	2.58	-2.47	-10.07	2	5	0	67	293.411	5	↓ MOL2 SDF SMILES Flexibase

54669889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-(3-hydroxypropyl)pyrazol-1-yl]cyclopentanol (1S,2R)-2-[4-(3-hydroxypropyl)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)	0.63	0.82	-9.08	2	4	0	58	210.277	4	↓ MOL2 SDF SMILES Flexibase

54669890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-(3-hydroxypropyl)pyrazol-1-yl]cyclopentanol (1S,2S)-2-[4-(3-hydroxypropyl)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)	0.63	0.36	-9.66	2	4	0	58	210.277	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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