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ZINC Item

Suppliers, Protomers, & Similar Substances

2793097

Analogs

2793212
2793879

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-(dimethylsulfamoyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide 2,4-dichloro-5-(dimethylsulfamoy…

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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)	1.52	-3.15	-13.05	0	7	0	75	405.307	5	↓ MOL2 SDF SMILES Flexibase

2793876

Analogs

2793879
2793967
2793212

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-(diethylsulfamoyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide 2,4-dichloro-5-(diethylsulfamoyl…

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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)	2.27	-2.65	-12.4	0	7	0	75	433.361	7	↓ MOL2 SDF SMILES Flexibase

2793878

Analogs

2793879
2793967
2794512

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-(diethylsulfamoyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-benzamide 2,4-dichloro-5-(diethylsulfamoyl…

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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	-2.28	-15.18	0	7	0	75	447.388	8	↓ MOL2 SDF SMILES Flexibase

2793879

Analogs

2793968
2794207
2794393
2794451
2793878

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-benzamide 2,4-dichloro-5-(dimethylsulfamoy…

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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	-2.61	-15.46	0	7	0	75	419.334	6	↓ MOL2 SDF SMILES Flexibase

2794393

Analogs

2794512
2793879

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-(diethylsulfamoyl)-N-[(2-ethylpyrazol-3-yl)methyl]benzamide 2,4-dichloro-5-(diethylsulfamoyl…

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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)	2.87	-4.22	-11.36	1	7	0	84	433.361	8	↓ MOL2 SDF SMILES Flexibase

2794451

Analogs

2794564
2793879

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2-ethylpyrazol-3-yl)methyl]benzamide 2,4-dichloro-5-(dimethylsulfamoy…

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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	-4.55	-11.7	1	7	0	84	405.307	6	↓ MOL2 SDF SMILES Flexibase

2794599

Analogs

2794692

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide N-methyl-N-[(2-methylpyrazol-3-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)	2.13	3.49	-13.59	0	5	0	47	373.35	8	↓ MOL2 SDF SMILES Flexibase

2795310

Analogs

28219029
30582958

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-benzamide N-methyl-N-[(2-methylpyrazol-3-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)	0.95	1.58	-13.13	0	7	0	83	274.28	4	↓ MOL2 SDF SMILES Flexibase

2795578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide N,4-dimethyl-N-[(2-methylpyrazol…

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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	1.38	-10.59	0	4	0	38	243.31	3	↓ MOL2 SDF SMILES Flexibase

2795583

Analogs

2796435
2794234

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-N,4-dimethyl-benzamide N-[(2-ethylpyrazol-3-yl)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)	1.82	1.85	-13.17	0	4	0	38	257.337	4	↓ MOL2 SDF SMILES Flexibase

2796242

Analogs

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Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-2,6-difluoro-benzamide N-[(2-ethylpyrazol-3-yl)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)	1.82	0.76	-11.22	1	4	0	46	265.263	4	↓ MOL2 SDF SMILES Flexibase

2796265

Analogs

2796317

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(difluoromethoxy)-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide 4-(difluoromethoxy)-3-methoxy-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)	1.42	0.83	-12.03	1	6	0	65	311.288	6	↓ MOL2 SDF SMILES Flexibase

2796435

Analogs

2796443
2800430
28219159
28219515
30582927

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-benzamide N-[(2-ethylpyrazol-3-yl)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)	2.04	-0.06	-8.6	1	4	0	46	243.31	4	↓ MOL2 SDF SMILES Flexibase

2796443

Analogs

2796435

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-benzamide N-[(2-ethylpyrazol-3-yl)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)	1.99	-0.12	-7.95	1	4	0	46	243.31	4	↓ MOL2 SDF SMILES Flexibase

2796485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-4-nitro-benzamide N-[(2-ethylpyrazol-3-yl)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)	1.55	0.14	-11.02	1	7	0	92	274.28	5	↓ MOL2 SDF SMILES Flexibase

2796544

Analogs

47457930

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(difluoromethoxy)-N-[(2-ethylpyrazol-3-yl)methyl]benzamide 2-(difluoromethoxy)-N-[(2-ethylp…

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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)	2.71	1.33	-11.95	1	5	0	56	295.289	6	↓ MOL2 SDF SMILES Flexibase

2797572

Analogs

2800774
28239327
30582945

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide 2,4-dichloro-N-[(2-ethylpyrazol-…

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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)	2.88	-0.65	-8.72	1	4	0	46	298.173	4	↓ MOL2 SDF SMILES Flexibase

2797597

Analogs

2799466
2800774
28236730
30582945
47456757

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide 2,4-dichloro-N-methyl-N-[(2-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)	2.27	0.77	-11.08	0	4	0	38	298.173	3	↓ MOL2 SDF SMILES Flexibase

2798207

Analogs

28239327
30582961

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide 4-chloro-N-[(2-ethylpyrazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	-0.63	-8.09	1	4	0	46	263.728	4	↓ MOL2 SDF SMILES Flexibase

2799466

Analogs

2797597

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide 4-chloro-N-methyl-N-[(2-methylpy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.67	0.9	-9.28	0	4	0	38	263.728	3	↓ MOL2 SDF SMILES Flexibase

2800014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethoxy-benzamide N-[(2-ethylpyrazol-3-yl)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)	1.64	-0.34	-10.35	1	6	0	65	289.335	6	↓ MOL2 SDF SMILES Flexibase

2800218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-benzamide N-[(2-ethylpyrazol-3-yl)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)	1.79	1.96	-13.85	0	4	0	38	257.337	4	↓ MOL2 SDF SMILES Flexibase

2800430

Analogs

2796435

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-benzamide N-[(2-ethylpyrazol-3-yl)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)	2.02	-0.06	-8.79	1	4	0	46	243.31	4	↓ MOL2 SDF SMILES Flexibase

2800738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethoxy-N-methyl-benzamide N-[(2-ethylpyrazol-3-yl)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)	1.41	1.68	-14.98	0	6	0	56	303.362	6	↓ MOL2 SDF SMILES Flexibase

2800774

Analogs

2797572
2797597

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-benzamide 2,4-dichloro-N-[(2-ethylpyrazol-…

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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)	2.65	1.25	-13.69	0	4	0	38	312.2	4	↓ MOL2 SDF SMILES Flexibase

2803165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide 3,5-dimethoxy-N-methyl-N-[(2-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)	1.03	1.1	-12.39	0	6	0	56	289.335	5	↓ MOL2 SDF SMILES Flexibase

69565350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(4-bromo-1H-pyrazol-5-yl)methyl]-3-nitro-benzamide 4-amino-N-[(4-bromo-1H-pyrazol-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)	1.26	2.34	-14.19	4	8	0	130	340.137	4	↓ MOL2 SDF SMILES Flexibase

55071667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(butanoylamino)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-benzamide 3-(butanoylamino)-N-[(3-tert-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)	3.46	7.68	-22.22	2	6	0	78	356.47	7	↓ MOL2 SDF SMILES Flexibase

55072655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[methyl(1H-pyrazol-5-ylmethyl)carbamoyl]anilino]acetic 2-[3-[methyl(1H-pyrazol-5-ylmeth…

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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)	-0.91	4.38	-52.54	2	7	-1	101	287.299	6	↓ MOL2 SDF SMILES Flexibase

55100043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-5-sulfamoyl-benzamide 3,4-dimethyl-N-[(1S)-1-(2-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)	1.73	1.81	-18.55	3	7	0	107	350.444	5	↓ MOL2 SDF SMILES Flexibase

55100045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-5-sulfamoyl-benzamide 3,4-dimethyl-N-[(1R)-1-(2-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)	1.73	2.33	-21.23	3	7	0	107	350.444	5	↓ MOL2 SDF SMILES Flexibase

55413071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,5,6-tetramethyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide 2,3,5,6-tetramethyl-N-[(2-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)	2.80	6.2	-9.22	1	4	0	47	271.364	3	↓ MOL2 SDF SMILES Flexibase

65513632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-1H-pyrazol-5-yl)methyl]-2,5-dichloro-benzamide N-[(4-bromo-1H-pyrazol-5-yl)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)	3.17	4.6	-7.36	2	4	0	58	349.015	3	↓ MOL2 SDF SMILES Flexibase

65515202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-1H-pyrazol-5-yl)methyl]-3-methyl-4-nitro-benzamide N-[(4-bromo-1H-pyrazol-5-yl)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)	2.22	4.89	-10.06	2	7	0	104	339.149	4	↓ MOL2 SDF SMILES Flexibase

55568624

Analogs

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Popular Name: 2-(2-methylallyloxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide 2-(2-methylallyloxy)-N-[(2-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)	2.97	6.95	-11.89	1	5	0	56	285.347	6	↓ MOL2 SDF SMILES Flexibase

67161272

Analogs

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Popular Name: 4-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide 4-fluoro-N-[(2-methylpyrazol-3-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)	2.21	5.27	-11.27	1	4	0	47	301.243	4	↓ MOL2 SDF SMILES Flexibase

49341587

Analogs

37089592
37131047

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Popular Name: 4-[ethyl(methyl)amino]-N-[(2-methylpyrazol-3-yl)methyl]benzamide 4-[ethyl(methyl)amino]-N-[(2-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)	1.70	5.54	-9.69	1	5	0	50	272.352	5	↓ MOL2 SDF SMILES Flexibase

49399174

Analogs

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Popular Name: 4-bromo-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide 4-bromo-3-fluoro-N-[(2-methylpyr…

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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	4.88	-9.95	1	4	0	47	312.142	3	↓ MOL2 SDF SMILES Flexibase

49423371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dimethylamino)-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide 4-(dimethylamino)-3-fluoro-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)	1.41	5.14	-10.6	1	5	0	50	276.315	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 160166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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