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ZINC Item

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12015620

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.03	4.1	-11.38	1	4	0	47	235.312	3	↓ MOL2 SDF SMILES Flexibase

12015867

Analogs

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

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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	-0.83	-10.34	1	4	0	47	263.366	4	↓ MOL2 SDF SMILES Flexibase

12024519

Analogs

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Popular Name: 3-tert-butyl-1-methyl-N-(2-thienylmethyl)pyrazole-4-carboxamide 3-tert-butyl-1-methyl-N-(2-thien…

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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)	2.75	-0.2	-9.84	1	4	0	47	277.393	4	↓ MOL2 SDF SMILES Flexibase

36163499

Analogs

36163502
37841058
37841059
37841966
37841967

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1S)-1-(2-thienyl)ethyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(1S)-1-(2-thieny…

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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)	1.74	4.07	-8.58	2	4	0	58	249.339	3	↓ MOL2 SDF SMILES Flexibase

36163502

Analogs

37841058
37841059
37841966
37841967
37842036

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1R)-1-(2-thienyl)ethyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(1R)-1-(2-thieny…

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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)	1.74	4.07	-8.72	2	4	0	58	249.339	3	↓ MOL2 SDF SMILES Flexibase

36163615

Analogs

37652637
37841074
37841090
37841134
37841210

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-(2-thienylmethyl)-1H-pyrazole-4-carboxamide N-methyl-N-(2-thienylmethyl)-1H-…

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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	3.91	-9.95	1	4	0	49	221.285	3	↓ MOL2 SDF SMILES Flexibase

36163621

Analogs

37841063
37841076
37841083
37841135
37841186

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyl-N-(2-thienylmethyl)-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-(2-thienylmeth…

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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)	0.96	5.32	-11.39	1	4	0	49	249.339	3	↓ MOL2 SDF SMILES Flexibase

36166180

Analogs

37841063
37841076
37841083

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-(2-thienylmethyl)…

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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	3.24	-9.14	2	4	0	58	235.312	3	↓ MOL2 SDF SMILES Flexibase

58329891

Analogs

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Popular Name: N-[(5-ethyl-2-thienyl)methyl]-1-isopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide N-[(5-ethyl-2-thienyl)methyl]-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)	3.47	7.45	-8.36	1	4	0	47	345.39	6	↓ MOL2 SDF SMILES Flexibase

62777958

Analogs

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Popular Name: N-[(1S)-1-(5-sulfamoyl-2-thienyl)ethyl]-1H-pyrazole-4-carboxamide N-[(1S)-1-(5-sulfamoyl-2-thienyl…

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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)	0.28	-2.01	-15.4	4	7	0	118	300.365	4	↓ MOL2 SDF SMILES Flexibase

62777959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-sulfamoyl-2-thienyl)ethyl]-1H-pyrazole-4-carboxamide N-[(1R)-1-(5-sulfamoyl-2-thienyl…

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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)	0.28	-2.01	-15.36	4	7	0	118	300.365	4	↓ MOL2 SDF SMILES Flexibase

62778273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-N-methyl-1H-pyrazole-4-carboxamide N-[[4-(3-hydroxyprop-1-ynyl)-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)	0.01	2.71	-15.51	2	5	0	69	275.333	3	↓ MOL2 SDF SMILES Flexibase

62778275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(4-hydroxybut-1-ynyl)-2-thienyl]methyl]-N-methyl-1H-pyrazole-4-carboxamide N-[[4-(4-hydroxybut-1-ynyl)-2-th…

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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)	0.28	3.48	-14.04	2	5	0	69	289.36	4	↓ MOL2 SDF SMILES Flexibase

62778329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(3-aminoprop-1-ynyl)-2-thienyl]methyl]-N-methyl-1H-pyrazole-4-carboxamide N-[[4-(3-aminoprop-1-ynyl)-2-thi…

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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	3.42	-53.03	4	5	1	77	275.357	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.56	3.01	-13.39	3	5	0	75	274.349	3	↓ MOL2 SDF SMILES Flexibase

62780017

Analogs

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Popular Name: (E)-3-[5-[[methyl(1H-pyrazole-4-carbonyl)amino]methyl]-3-thienyl]prop-2-enoic (E)-3-[5-[[methyl(1H-pyrazole-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)	0.23	5.76	-60.47	1	6	-1	89	290.324	5	↓ MOL2 SDF SMILES Flexibase

69459062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-bromo-2-thienyl)methyl]-1,5-dimethyl-pyrazole-4-carboxamide N-[(3-bromo-2-thienyl)methyl]-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)	1.76	4.53	-9.17	1	4	0	47	314.208	3	↓ MOL2 SDF SMILES Flexibase

63721481

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide N-[(5-chloro-2-thienyl)methyl]-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)	1.91	6.19	-7.85	1	4	0	49	283.784	4	↓ MOL2 SDF SMILES Flexibase

63759837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide N-[(5-bromo-2-thienyl)methyl]-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)	1.89	3.48	-7.45	2	4	0	58	300.181	3	↓ MOL2 SDF SMILES Flexibase

63760402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide N-[(5-chloro-2-thienyl)methyl]-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)	1.76	3.37	-7.48	2	4	0	58	255.73	3	↓ MOL2 SDF SMILES Flexibase

64311243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[(1S)-1-(5-methyl-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)	1.74	4.39	-7.6	2	4	0	58	249.339	3	↓ MOL2 SDF SMILES Flexibase

69895526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-1-ethyl-pyrazole-4-carboxamide N-[(5-chloro-2-thienyl)methyl]-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)	1.98	4.99	-8.48	1	4	0	47	269.757	4	↓ MOL2 SDF SMILES Flexibase

40438389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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	4.05	-13.43	2	6	0	84	279.321	6	↓ MOL2 SDF SMILES Flexibase

40438391

Analogs

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Popular Name: methyl methyl

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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	4.05	-13.38	2	6	0	84	279.321	6	↓ MOL2 SDF SMILES Flexibase

40444587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(1H-pyrazole-4-carbonylamino)-3-(2-thienyl)propanoic (3R)-3-(1H-pyrazole-4-carbonylam…

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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	3.51	-52.63	2	6	-1	98	264.286	5	↓ MOL2 SDF SMILES Flexibase

40444588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(1H-pyrazole-4-carbonylamino)-3-(2-thienyl)propanoic (3S)-3-(1H-pyrazole-4-carbonylam…

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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	3.51	-52.74	2	6	-1	98	264.286	5	↓ MOL2 SDF SMILES Flexibase

40444605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-1H-pyrazole-4-carboxamide N-[(1S)-1-(5-chloro-2-thienyl)et…

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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)	2.10	3.62	-7.65	2	4	0	58	255.73	3	↓ MOL2 SDF SMILES Flexibase

40444606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-1H-pyrazole-4-carboxamide N-[(1R)-1-(5-chloro-2-thienyl)et…

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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)	2.10	3.62	-7.66	2	4	0	58	255.73	3	↓ MOL2 SDF SMILES Flexibase

70203485

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-1H-pyrazole-4-carboxamide N-[(5-chloro-2-thienyl)methyl]-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)	1.54	2.8	-8.2	2	4	0	58	241.703	3	↓ MOL2 SDF SMILES Flexibase

48790496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-trimethyl-N-[(5-methyl-2-thienyl)methyl]pyrazole-4-carboxamide 1,3,5-trimethyl-N-[(5-methyl-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)	1.47	5.32	-10.57	1	4	0	47	263.366	3	↓ MOL2 SDF SMILES Flexibase

48945170

Analogs

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Popular Name: 1,3,5-trimethyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]pyrazole-4-carboxamide 1,3,5-trimethyl-N-[(1R)-1-(5-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)	2.03	6.15	-10.15	1	4	0	47	277.393	3	↓ MOL2 SDF SMILES Flexibase

48945171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-trimethyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]pyrazole-4-carboxamide 1,3,5-trimethyl-N-[(1S)-1-(5-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)	2.03	6.15	-9.97	1	4	0	47	277.393	3	↓ MOL2 SDF SMILES Flexibase

48945220

Analogs

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Popular Name: 5-chloro-1,3-dimethyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]pyrazole-4-carboxamide 5-chloro-1,3-dimethyl-N-[(1R)-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)	2.61	6.02	-7.84	1	4	0	47	297.811	3	↓ MOL2 SDF SMILES Flexibase

48945221

Analogs

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Popular Name: 5-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]pyrazole-4-carboxamide 5-chloro-1,3-dimethyl-N-[(1S)-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)	2.61	6.02	-7.89	1	4	0	47	297.811	3	↓ MOL2 SDF SMILES Flexibase

48945222

Analogs

37842023
37842022

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]pyrazole-4-carboxamide 1-methyl-N-[(1R)-1-(5-methyl-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)	1.59	5.14	-8.99	1	4	0	47	249.339	3	↓ MOL2 SDF SMILES Flexibase

48945223

Analogs

37842023
37842022

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]pyrazole-4-carboxamide 1-methyl-N-[(1S)-1-(5-methyl-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)	1.59	5.13	-8.96	1	4	0	47	249.339	3	↓ MOL2 SDF SMILES Flexibase

49248093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-N-[(3-methyl-2-thienyl)methyl]pyrazole-4-carboxamide 1-tert-butyl-N-[(3-methyl-2-thie…

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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)	2.37	6.06	-8.43	1	4	0	47	277.393	4	↓ MOL2 SDF SMILES Flexibase

49317290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1,5-trimethyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]pyrazole-4-carboxamide N,1,5-trimethyl-N-[(1R)-1-(5-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)	1.58	6.92	-9.5	0	4	0	38	277.393	3	↓ MOL2 SDF SMILES Flexibase

49317291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1,5-trimethyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]pyrazole-4-carboxamide N,1,5-trimethyl-N-[(1S)-1-(5-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)	1.58	6.9	-9.82	0	4	0	38	277.393	3	↓ MOL2 SDF SMILES Flexibase

49319740

Analogs

37841059
37841058

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(1S)-3-methyl-1-(2-thienyl)butyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[(1S)-3-methyl-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)	2.86	7.1	-9.5	1	4	0	47	291.42	5	↓ MOL2 SDF SMILES Flexibase

49319742

Analogs

37841059
37841058

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(1R)-3-methyl-1-(2-thienyl)butyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[(1R)-3-methyl-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)	2.86	7.05	-9.5	1	4	0	47	291.42	5	↓ MOL2 SDF SMILES Flexibase

49353146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(1S)-3-methyl-1-(2-thienyl)butyl]pyrazole-4-carboxamide 1-methyl-N-[(1S)-3-methyl-1-(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)	2.64	6.21	-8.56	1	4	0	47	277.393	5	↓ MOL2 SDF SMILES Flexibase

49353151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(1R)-3-methyl-1-(2-thienyl)butyl]pyrazole-4-carboxamide 1-methyl-N-[(1R)-3-methyl-1-(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)	2.64	6.18	-7.52	1	4	0	47	277.393	5	↓ MOL2 SDF SMILES Flexibase

49533212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S)-1-(2-thienyl)propyl]-1H-pyrazole-4-carboxamide 5-amino-N-[(1S)-1-(2-thienyl)pro…

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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)	1.41	2.66	-7.03	4	5	0	84	250.327	4	↓ MOL2 SDF SMILES Flexibase

49533213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R)-1-(2-thienyl)propyl]-1H-pyrazole-4-carboxamide 5-amino-N-[(1R)-1-(2-thienyl)pro…

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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)	1.41	2.67	-7.02	4	5	0	84	250.327	4	↓ MOL2 SDF SMILES Flexibase

49533296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1S)-1-(2-thienyl)propyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(1S)-1-(2-thieny…

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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)	2.24	4.65	-8.1	2	4	0	58	263.366	4	↓ MOL2 SDF SMILES Flexibase

49533297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1R)-1-(2-thienyl)propyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(1R)-1-(2-thieny…

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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)	2.24	4.62	-7.94	2	4	0	58	263.366	4	↓ MOL2 SDF SMILES Flexibase

37841060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-carboxamide N-[(5-chloro-2-thienyl)methyl]-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)	2.13	6.68	-8.81	1	4	0	49	297.811	4	↓ MOL2 SDF SMILES Flexibase

37841062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide N-[(5-chloro-2-thienyl)methyl]-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)	1.76	5.95	-11.43	1	4	0	49	283.784	3	↓ MOL2 SDF SMILES Flexibase

37841063

Analogs

36166180
36163621

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide N-allyl-N-[(5-chloro-2-thienyl)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)	2.40	7.3	-10.54	1	4	0	49	309.822	5	↓ MOL2 SDF SMILES Flexibase

37841074

Analogs

25473852
36163615

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-N-ethyl-1H-pyrazole-4-carboxamide N-[(5-bromo-2-thienyl)methyl]-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)	1.82	5.44	-8.39	1	4	0	49	314.208	4	↓ 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

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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