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ZINC Item

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35638090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-1,5-dimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 3-isobutyl-1,5-dimethyl-N-[[(2S)…

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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	4.75	-10.6	1	5	0	56	279.384	5	↓ MOL2 SDF SMILES Flexibase

35638091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-1,5-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 3-isobutyl-1,5-dimethyl-N-[[(2R)…

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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	4.78	-10.96	1	5	0	56	279.384	5	↓ MOL2 SDF SMILES Flexibase

12015602

Analogs

12015603
2779119
2779121

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 1,3-dimethyl-N-[[(2S)-tetrahydro…

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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	2.23	-12.45	1	5	0	56	223.276	3	↓ MOL2 SDF SMILES Flexibase

12015603

Analogs

12015602

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 1,3-dimethyl-N-[[(2R)-tetrahydro…

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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	2.27	-12.28	1	5	0	56	223.276	3	↓ MOL2 SDF SMILES Flexibase

12015847

Analogs

12015848

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-3-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 1-isopropyl-3-methyl-N-[[(2S)-te…

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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)	0.84	-1.62	-11.43	1	5	0	56	251.33	4	↓ MOL2 SDF SMILES Flexibase

12015848

Analogs

12015847

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-3-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 1-isopropyl-3-methyl-N-[[(2R)-te…

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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)	0.84	-1.56	-11.22	1	5	0	56	251.33	4	↓ MOL2 SDF SMILES Flexibase

12024399

Analogs

12024405

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 3-tert-butyl-1-methyl-N-[[(2S)-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)	1.83	-1	-10.51	1	5	0	56	265.357	4	↓ MOL2 SDF SMILES Flexibase

12024405

Analogs

12024399

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 3-tert-butyl-1-methyl-N-[[(2R)-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)	1.83	-0.94	-10.56	1	5	0	56	265.357	4	↓ MOL2 SDF SMILES Flexibase

12025684

Analogs

12025688

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-isopropyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 3-tert-butyl-1-isopropyl-N-[[(2S…

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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	-0.79	-9.66	1	5	0	56	293.411	5	↓ MOL2 SDF SMILES Flexibase

12025688

Analogs

12025684

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-isopropyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrazole-4-carboxamide 3-tert-butyl-1-isopropyl-N-[[(2R…

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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	-0.73	-9.55	1	5	0	56	293.411	5	↓ MOL2 SDF SMILES Flexibase

36163533

Analogs

36163536
36163539
36163540
37841650
37841651

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]-1H-pyrazole-4-carboxamide N-[(1S)-1-[(2S)-tetrahydrofuran-…

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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)	0.14	1.68	-8.69	2	5	0	67	209.249	3	↓ MOL2 SDF SMILES Flexibase

36163536

Analogs

36163539
36163540
37841650
37841651
37841652

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]-1H-pyrazole-4-carboxamide N-[(1R)-1-[(2S)-tetrahydrofuran-…

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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)	0.14	1.15	-8.59	2	5	0	67	209.249	3	↓ MOL2 SDF SMILES Flexibase

36163539

Analogs

36163540
37841650
37841651
37841652
37841653

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]-1H-pyrazole-4-carboxamide N-[(1S)-1-[(2R)-tetrahydrofuran-…

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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)	0.14	1.13	-8.56	2	5	0	67	209.249	3	↓ MOL2 SDF SMILES Flexibase

36163540

Analogs

37841650
37841651
37841652
37841653
43429017

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]-1H-pyrazole-4-carboxamide N-[(1R)-1-[(2R)-tetrahydrofuran-…

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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)	0.14	1.68	-8.44	2	5	0	67	209.249	3	↓ MOL2 SDF SMILES Flexibase

36163577

Analogs

36163580
36163582
36163585
37841670
37841671

Draw Identity 99% 90% 80% 70%

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

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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)	0.59	2.76	-9.49	2	5	0	67	237.303	3	↓ MOL2 SDF SMILES Flexibase

36163580

Analogs

36163582
36163585
37841670
37841671
37841672

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(1R)-1-[(2S)-tet…

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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)	0.59	2.22	-9.11	2	5	0	67	237.303	3	↓ MOL2 SDF SMILES Flexibase

36163582

Analogs

36163585
37841670
37841671
37841672
37841673

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(1S)-1-[(2R)-tet…

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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)	0.59	2.21	-9.24	2	5	0	67	237.303	3	↓ MOL2 SDF SMILES Flexibase

36163585

Analogs

37841670
37841671
37841672
37841673
43429029

Draw Identity 99% 90% 80% 70%

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

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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)	0.59	2.75	-8.77	2	5	0	67	237.303	3	↓ MOL2 SDF SMILES Flexibase

36165827

Analogs

36165829
37841053
37841054
42467083
42467085

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[[(2S)-tetrahydro…

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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	1.42	-9.77	2	5	0	67	223.276	3	↓ MOL2 SDF SMILES Flexibase

36165829

Analogs

37841053
37841054
42467083
42467085
42472313

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[[(2R)-tetrahydro…

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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	1.45	-10.11	2	5	0	67	223.276	3	↓ MOL2 SDF SMILES Flexibase

48951410

Analogs

42472187
42472190
42426501
42426502

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide 5-amino-N-methyl-N-[[(2S)-tetrah…

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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	1.87	-14.32	3	6	0	84	224.264	3	↓ MOL2 SDF SMILES Flexibase

48951412

Analogs

42472187
42472190
42426501
42426502

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide 5-amino-N-methyl-N-[[(2R)-tetrah…

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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	1.24	-11.96	3	6	0	84	224.264	3	↓ MOL2 SDF SMILES Flexibase

67952679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[[(2S)-tetrahydrofura…

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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)	0.04	0.92	-8.81	2	5	0	67	209.249	3	↓ MOL2 SDF SMILES Flexibase

67952680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[[(2R)-tetrahydrofura…

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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)	0.04	0.95	-8.71	2	5	0	67	209.249	3	↓ MOL2 SDF SMILES Flexibase

42467079

Analogs

35732330
35732331
36166381
36166384

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide N-methyl-N-[[(2S)-tetrahydrofura…

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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	2.9	-12.21	1	5	0	58	209.249	3	↓ MOL2 SDF SMILES Flexibase

42467081

Analogs

35732330
35732331
36166381
36166384

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide N-methyl-N-[[(2R)-tetrahydrofura…

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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	2.18	-9.63	1	5	0	58	209.249	3	↓ MOL2 SDF SMILES Flexibase

42467083

Analogs

63734388
65898556
68243382
36166396
36166399

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-[[(2S)-tetrahy…

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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	3.58	-9.94	1	5	0	58	237.303	3	↓ MOL2 SDF SMILES Flexibase

42467085

Analogs

63734388
65898556
68243382
36166396
36166399

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-[[(2R)-tetrahy…

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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	3.94	-12.59	1	5	0	58	237.303	3	↓ MOL2 SDF SMILES Flexibase

42472187

Analogs

42472190
48951410
48951412
42426501
42426502

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide 5-amino-N-ethyl-N-[[(2S)-tetrahy…

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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	2.8	-11.2	3	6	0	84	238.291	4	↓ MOL2 SDF SMILES Flexibase

42472190

Analogs

48951410
48951412
42472187
42426501
42426502

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide 5-amino-N-ethyl-N-[[(2R)-tetrahy…

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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	2.2	-9.63	3	6	0	84	238.291	4	↓ MOL2 SDF SMILES Flexibase

42472308

Analogs

35732330
35732331
36166381
36166384

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide N-ethyl-N-[[(2S)-tetrahydrofuran…

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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)	-0.04	3.71	-11.58	1	5	0	58	223.276	4	↓ MOL2 SDF SMILES Flexibase

42472311

Analogs

35732330
35732331
36166381
36166384

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Popular Name: N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide N-ethyl-N-[[(2R)-tetrahydrofuran…

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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)	-0.04	2.98	-9.8	1	5	0	58	223.276	4	↓ MOL2 SDF SMILES Flexibase

42472313

Analogs

63734388
65898556
68243382
36166396
36166399

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Popular Name: N-ethyl-3,5-dimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide N-ethyl-3,5-dimethyl-N-[[(2S)-te…

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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	4.67	-11.99	1	5	0	58	251.33	4	↓ MOL2 SDF SMILES Flexibase

42472316

Analogs

63734388
65898556
68243382
36166396
36166399

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3,5-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazole-4-carboxamide N-ethyl-3,5-dimethyl-N-[[(2R)-te…

Find On: PubMed — Wikipedia — Google

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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	4.34	-9.61	1	5	0	58	251.33	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 20889
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 = 20889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=20889&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": "20889"        

    });
</script>

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