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ZINC Item

Suppliers, Protomers, & Similar Substances

13253181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-naphthylcarbamoyl)-5-nitro-benzoic 3-(2-naphthylcarbamoyl)-5-nitro-…

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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)	3.81	9.05	-49.95	1	7	-1	115	335.295	4	↓ MOL2 SDF SMILES Flexibase

13253183

Analogs

34441934

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-naphthylcarbamoyl)benzoic 4-(2-naphthylcarbamoyl)benzoic

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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)	3.92	8.43	-50.8	1	4	-1	69	290.298	3	↓ MOL2 SDF SMILES Flexibase

13426496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(dipropylsulfamoyl)benzoyl]amino]naphthalene-2-carboxylic 3-[[3-(dipropylsulfamoyl)benzoyl…

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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)	5.08	9.93	-54.73	1	7	-1	107	453.54	9	↓ MOL2 SDF SMILES Flexibase

13426497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-dimethylamino-3-nitro-benzoyl)amino]naphthalene-2-carboxylic 3-[(4-dimethylamino-3-nitro-benz…

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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)	4.02	10.02	-49.35	1	8	-1	118	378.364	5	↓ MOL2 SDF SMILES Flexibase

13426501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-methylsulfonylbenzoyl)amino]naphthalene-2-carboxylic 3-[(3-methylsulfonylbenzoyl)amin…

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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	6.21	-57.25	1	6	-1	103	368.39	4	↓ MOL2 SDF SMILES Flexibase

13426560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-bromo-4-methoxy-benzoyl)amino]naphthalene-2-carboxylic 3-[(3-bromo-4-methoxy-benzoyl)am…

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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)	4.83	8.72	-49.44	1	5	-1	78	399.22	4	↓ MOL2 SDF SMILES Flexibase

13426564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(methoxy-methyl-sulfamoyl)benzoyl]amino]naphthalene-2-carboxylic 3-[[3-(methoxy-methyl-sulfamoyl)…

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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)	3.28	6.84	-55.98	1	8	-1	116	413.431	6	↓ MOL2 SDF SMILES Flexibase

13426565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-bromo-4-fluoro-benzoyl)amino]naphthalene-2-carboxylic 3-[(2-bromo-4-fluoro-benzoyl)ami…

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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)	4.93	9.37	-46.79	1	4	-1	69	387.184	3	↓ MOL2 SDF SMILES Flexibase

13426566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,4-dichloro-5-fluoro-benzoyl)amino]naphthalene-2-carboxylic 3-[(2,4-dichloro-5-fluoro-benzoy…

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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)	5.41	9.86	-47.58	1	4	-1	69	377.178	3	↓ MOL2 SDF SMILES Flexibase

13426570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-methoxy-3-(methoxy-methyl-sulfamoyl)benzoyl]amino]naphthalene-2-carboxylic 3-[[4-methoxy-3-(methoxy-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)	3.29	6.68	-57.2	1	9	-1	125	443.457	7	↓ MOL2 SDF SMILES Flexibase

13426577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methoxy-5-nitro-benzoyl)amino]naphthalene-2-carboxylic 3-[(2-methoxy-5-nitro-benzoyl)am…

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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)	4.52	9.87	-60.15	1	8	-1	124	365.321	5	↓ MOL2 SDF SMILES Flexibase

13426581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methoxy-5-methyl-benzoyl)amino]naphthalene-2-carboxylic 3-[(2-methoxy-5-methyl-benzoyl)a…

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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)	5.01	9.88	-56.88	1	5	-1	78	334.351	4	↓ MOL2 SDF SMILES Flexibase

13426615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(methoxy-methyl-sulfamoyl)benzoyl]amino]naphthalene-2-carboxylic 3-[[4-(methoxy-methyl-sulfamoyl)…

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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)	3.30	6.64	-53.39	1	8	-1	116	413.431	6	↓ MOL2 SDF SMILES Flexibase

13426626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-fluoro-4-methyl-benzoyl)amino]naphthalene-2-carboxylic 3-[(3-fluoro-4-methyl-benzoyl)am…

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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)	4.57	9.47	-49.43	1	4	-1	69	322.315	3	↓ MOL2 SDF SMILES Flexibase

13426644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-bromo-2-fluoro-benzoyl)amino]naphthalene-2-carboxylic 3-[(4-bromo-2-fluoro-benzoyl)ami…

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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)	4.93	9.38	-48.47	1	4	-1	69	387.184	3	↓ MOL2 SDF SMILES Flexibase

13426650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chloro-2-fluoro-benzoyl)amino]naphthalene-2-carboxylic 3-[(4-chloro-2-fluoro-benzoyl)am…

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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)	4.80	9.28	-48.58	1	4	-1	69	342.733	3	↓ MOL2 SDF SMILES Flexibase

13426689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(methylsulfonylmethyl)benzoyl]amino]naphthalene-2-carboxylic 3-[[3-(methylsulfonylmethyl)benz…

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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)	3.38	6.92	-64.17	1	6	-1	103	382.417	5	↓ MOL2 SDF SMILES Flexibase

13426697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-methylsulfanyl-2-nitro-benzoyl)amino]naphthalene-2-carboxylic 3-[(5-methylsulfanyl-2-nitro-ben…

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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)	4.35	11.34	-58.22	1	7	-1	115	381.389	5	↓ MOL2 SDF SMILES Flexibase

13426711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-bromo-5-fluoro-benzoyl)amino]naphthalene-2-carboxylic 3-[(2-bromo-5-fluoro-benzoyl)ami…

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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)	4.93	9.37	-50.7	1	4	-1	69	387.184	3	↓ MOL2 SDF SMILES Flexibase

13426731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(isopropylsulfamoyl)-4-methoxy-benzoyl]amino]naphthalene-2-carboxylic 3-[[3-(isopropylsulfamoyl)-4-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)	3.76	6.29	-55.39	2	8	-1	125	441.485	7	↓ MOL2 SDF SMILES Flexibase

13426732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(isopropylsulfamoyl)benzoyl]amino]naphthalene-2-carboxylic 3-[[4-(isopropylsulfamoyl)benzoy…

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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)	3.77	6.35	-53.79	2	7	-1	115	411.459	6	↓ MOL2 SDF SMILES Flexibase

13426734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(sec-butylsulfamoyl)benzoyl]amino]naphthalene-2-carboxylic 3-[[4-(sec-butylsulfamoyl)benzoy…

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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)	4.31	7.12	-53.68	2	7	-1	115	425.486	7	↓ MOL2 SDF SMILES Flexibase

13426736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(sec-butylsulfamoyl)benzoyl]amino]naphthalene-2-carboxylic 3-[[4-(sec-butylsulfamoyl)benzoy…

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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)	4.31	7.3	-55.05	2	7	-1	115	425.486	7	↓ MOL2 SDF SMILES Flexibase

13426740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(allylsulfamoyl)benzoyl]amino]naphthalene-2-carboxylic 3-[[3-(allylsulfamoyl)benzoyl]am…

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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)	3.72	6.27	-54.4	2	7	-1	115	409.443	7	↓ MOL2 SDF SMILES Flexibase

57973395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[methoxy(methyl)sulfamoyl]-N-methyl-N-(2-naphthyl)benzamide 4-[methoxy(methyl)sulfamoyl]-N-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)	3.53	7.7	-15.37	0	6	0	67	384.457	5	↓ MOL2 SDF SMILES Flexibase

13678064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethyl-methylsulfonyl-amino)-N-(2-naphthyl)benzamide 4-(ethyl-methylsulfonyl-amino)-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)	3.87	7.68	-17.13	1	5	0	66	368.458	5	↓ MOL2 SDF SMILES Flexibase

69101480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-N-methyl-N-(2-naphthyl)benzamide 5-chloro-2-methoxy-N-methyl-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)	5.47	10.54	-11.42	0	3	0	30	325.795	3	↓ MOL2 SDF SMILES Flexibase

69101511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-methoxy-N-methyl-N-(2-naphthyl)benzamide 2-bromo-5-methoxy-N-methyl-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)	5.05	9.62	-10.26	0	3	0	30	370.246	3	↓ MOL2 SDF SMILES Flexibase

69101529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(difluoromethoxy)-N-methyl-N-(2-naphthyl)benzamide 2-(difluoromethoxy)-N-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)	5.37	10.31	-13.91	0	3	0	30	327.33	4	↓ MOL2 SDF SMILES Flexibase

69101530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(diethylsulfamoyl)-N,4-dimethyl-N-(2-naphthyl)benzamide 3-(diethylsulfamoyl)-N,4-dimethy…

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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)	4.70	10.36	-15.18	0	5	0	58	410.539	6	↓ MOL2 SDF SMILES Flexibase

69101557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(diethylsulfamoyl)-4-methoxy-N-methyl-N-(2-naphthyl)benzamide 3-(diethylsulfamoyl)-4-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)	4.31	9.58	-18.68	0	6	0	67	426.538	7	↓ MOL2 SDF SMILES Flexibase

69101560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2-naphthyl)benzamide 5-(diethylsulfamoyl)-N,2-dimethy…

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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)	4.70	10.16	-15	0	5	0	58	410.539	6	↓ MOL2 SDF SMILES Flexibase

69101561

Analogs

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Popular Name: 5-(tert-butylsulfamoyl)-N,2-dimethyl-N-(2-naphthyl)benzamide 5-(tert-butylsulfamoyl)-N,2-dime…

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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)	4.89	8.28	-11.99	1	5	0	66	410.539	5	↓ MOL2 SDF SMILES Flexibase

69101562

Analogs

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Popular Name: 3-(tert-butylsulfamoyl)-4-methoxy-N-methyl-N-(2-naphthyl)benzamide 3-(tert-butylsulfamoyl)-4-methox…

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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)	4.50	7.65	-18.38	1	6	0	76	426.538	6	↓ MOL2 SDF SMILES Flexibase

69101566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-naphthyl)benzamide 4-bromo-3-(dimethylsulfamoyl)-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)	4.31	8.05	-16.49	0	5	0	58	447.354	4	↓ MOL2 SDF SMILES Flexibase

69101578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[isopropyl(methyl)sulfamoyl]-N-methyl-N-(2-naphthyl)benzamide 2-chloro-5-[isopropyl(methyl)sul…

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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)	4.85	9.57	-14.88	0	5	0	58	430.957	5	↓ MOL2 SDF SMILES Flexibase

69101581

Analogs

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Popular Name: 5-bromo-2-fluoro-N-methyl-N-(2-naphthyl)benzamide 5-bromo-2-fluoro-N-methyl-N-(2-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)	5.16	10.41	-11.04	0	2	0	20	358.21	2	↓ MOL2 SDF SMILES Flexibase

69101611

Analogs

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Popular Name: 2-chloro-N-methyl-N-(2-naphthyl)benzamide 2-chloro-N-methyl-N-(2-naphthyl)…

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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)	4.89	10.23	-12.09	0	2	0	20	295.769	2	↓ MOL2 SDF SMILES Flexibase

69101613

Analogs

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Popular Name: 2-chloro-N-methyl-N-(2-naphthyl)-5-nitro-benzamide 2-chloro-N-methyl-N-(2-naphthyl)…

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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)	4.82	10.93	-9.93	0	5	0	66	340.766	3	↓ MOL2 SDF SMILES Flexibase

69101614

Analogs

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Popular Name: 2-chloro-6-fluoro-N-methyl-N-(2-naphthyl)benzamide 2-chloro-6-fluoro-N-methyl-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)	5.00	10.83	-12.97	0	2	0	20	313.759	2	↓ MOL2 SDF SMILES Flexibase

69101615

Analogs

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Popular Name: N-methyl-N-(2-naphthyl)-2-(trifluoromethyl)benzamide N-methyl-N-(2-naphthyl)-2-(trifl…

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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)	5.10	10.72	-14.57	0	2	0	20	329.321	3	↓ MOL2 SDF SMILES Flexibase

69101616

Analogs

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Popular Name: 4-iodo-N-methyl-N-(2-naphthyl)benzamide 4-iodo-N-methyl-N-(2-naphthyl)be…

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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)	5.34	10.85	-9.15	0	2	0	20	387.22	2	↓ MOL2 SDF SMILES Flexibase

69101620

Analogs

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Popular Name: 4-isopropyl-N-methyl-N-(2-naphthyl)benzamide 4-isopropyl-N-methyl-N-(2-naphth…

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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)	5.77	11.66	-9.76	0	2	0	20	303.405	3	↓ MOL2 SDF SMILES Flexibase

69101621

Analogs

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Popular Name: 2-iodo-N-methyl-N-(2-naphthyl)benzamide 2-iodo-N-methyl-N-(2-naphthyl)be…

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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)	5.29	10.78	-10.53	0	2	0	20	387.22	2	↓ MOL2 SDF SMILES Flexibase

69101622

Analogs

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Popular Name: 2-chloro-5-(diethylsulfamoyl)-N-methyl-N-(2-naphthyl)benzamide 2-chloro-5-(diethylsulfamoyl)-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)	4.93	9.89	-14.93	0	5	0	58	430.957	6	↓ MOL2 SDF SMILES Flexibase

69101624

Analogs

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Popular Name: 2,3-dichloro-N-methyl-N-(2-naphthyl)benzamide 2,3-dichloro-N-methyl-N-(2-napht…

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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)	5.52	10.69	-13.09	0	2	0	20	330.214	2	↓ MOL2 SDF SMILES Flexibase

69101627

Analogs

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Popular Name: 2-ethoxy-N-methyl-N-(2-naphthyl)benzamide 2-ethoxy-N-methyl-N-(2-naphthyl)…

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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)	5.19	10.81	-13.63	0	3	0	30	305.377	4	↓ MOL2 SDF SMILES Flexibase

69101628

Analogs

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Popular Name: N,2,3-trimethyl-N-(2-naphthyl)benzamide N,2,3-trimethyl-N-(2-naphthyl)be…

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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)	5.06	11.05	-9.34	0	2	0	20	289.378	2	↓ MOL2 SDF SMILES Flexibase

69101631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2,4-trimethyl-N-(2-naphthyl)benzamide N,2,4-trimethyl-N-(2-naphthyl)be…

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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)	5.08	11.11	-9.28	0	2	0	20	289.378	2	↓ MOL2 SDF SMILES Flexibase

69101637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,4-trimethyl-N-(2-naphthyl)benzamide N,3,4-trimethyl-N-(2-naphthyl)be…

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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)	5.08	10.96	-10.45	0	2	0	20	289.378	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 116809
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 = 116809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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">
    window.zinc.embed('zinc-link', {
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