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ZINC Item

Suppliers, Protomers, & Similar Substances

746764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,6-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide 5-[(2,6-dimethoxybenzoyl)amino]-…

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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)	4.03	9.65	-15.93	2	7	0	80	447.535	8	↓ MOL2 SDF SMILES Flexibase

746765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,6-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-[(1R)-1-phenylethyl]benzamide 5-[(2,6-dimethoxybenzoyl)amino]-…

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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)	4.03	9.64	-16.03	2	7	0	80	447.535	8	↓ MOL2 SDF SMILES Flexibase

746836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,6-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(4-fluorobenzyl)benzamide 5-[(2,6-dimethoxybenzoyl)amino]-…

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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)	3.63	7.89	-19.35	2	7	0	80	451.498	8	↓ MOL2 SDF SMILES Flexibase

748251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-[(4-chloro-3-nitro-benzoyl)amino]-2-(dimethylamino)benzamide N-benzyl-5-[(4-chloro-3-nitro-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)	4.01	10.26	-24.78	2	8	0	107	452.898	7	↓ MOL2 SDF SMILES Flexibase

46671701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-3-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide N-benzyl-3-[(4-fluorobenzoyl)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)	3.32	10.64	-14.7	1	5	0	59	406.457	8	↓ MOL2 SDF SMILES Flexibase

46672011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-3-[(4-fluorobenzoyl)amino]benzamide N-[(3-chlorophenyl)methyl]-3-[(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)	4.21	9.2	-17.97	2	4	0	58	382.822	5	↓ MOL2 SDF SMILES Flexibase

46672290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluorobenzoyl)amino]-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide 3-[(4-fluorobenzoyl)amino]-N-[(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)	4.24	9.65	-22.76	2	4	0	58	380.394	5	↓ MOL2 SDF SMILES Flexibase

46672291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluorobenzoyl)amino]-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide 3-[(4-fluorobenzoyl)amino]-N-[(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)	4.24	9.62	-22.25	2	4	0	58	380.394	5	↓ MOL2 SDF SMILES Flexibase

14561374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-methyl-N-[3-[[methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	11.07	-20.51	1	4	0	49	358.441	5	↓ MOL2 SDF SMILES Flexibase

14561380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 2-[[[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]amino]carbonyl]- benzoic acid, 2-[[[3-[[methyl(ph…

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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)	2.69	10.57	-90.36	1	6	-1	90	387.415	6	↓ MOL2 SDF SMILES Flexibase

14561386

Analogs

37075513

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-bromo-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-bromo-N-[3-[[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)	3.93	10.98	-22.68	1	4	0	49	423.31	5	↓ MOL2 SDF SMILES Flexibase

14561390

Analogs

34921605
34921610
37075466
46817288
6544603

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[(4-fluorobenzoyl)amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[(4-fluorobenzoyl)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)	3.33	10.41	-19.18	1	4	0	49	362.404	5	↓ MOL2 SDF SMILES Flexibase

14561394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[(4-nitrobenzoyl)amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[(4-nitrob…

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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)	3.13	11.02	-21.23	1	7	0	95	389.411	6	↓ MOL2 SDF SMILES Flexibase

14561396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]-2-nitro- benzamide, N-[3-[[methyl(phenylm…

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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)	3.08	11.6	-33.25	1	7	0	95	389.411	6	↓ MOL2 SDF SMILES Flexibase

14561400

Analogs

16567982

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2,4-dichloro-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2,4-dichloro-N-[3-[[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)	4.45	11.37	-21.7	1	4	0	49	413.304	5	↓ MOL2 SDF SMILES Flexibase

14561402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-iodo-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-iodo-N-[3-[[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)	4.20	11.43	-21.14	1	4	0	49	470.31	5	↓ MOL2 SDF SMILES Flexibase

14561406

Analogs

6695025
6696465

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-chloro-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-chloro-N-[3-[[methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	10.86	-23.5	1	4	0	49	378.859	5	↓ MOL2 SDF SMILES Flexibase

14561408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[(4-chlorobenzoyl)amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[(4-chlorobenzoyl)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)	3.85	10.86	-18.79	1	4	0	49	378.859	5	↓ MOL2 SDF SMILES Flexibase

14561412

Analogs

31367379
31369907

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3-methyl-N-[3-[[methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	11.02	-20.26	1	4	0	49	358.441	5	↓ MOL2 SDF SMILES Flexibase

14561413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]-3-nitro- benzamide, N-[3-[[methyl(phenylm…

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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)	3.10	11.02	-27.31	1	7	0	95	389.411	6	↓ MOL2 SDF SMILES Flexibase

14561417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]-3,5-dinitro- benzamide, N-[3-[[methyl(phenylm…

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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)	3.02	11.69	-20.41	1	10	0	141	434.408	7	↓ MOL2 SDF SMILES Flexibase

14561428

Analogs

16426654
33768544
4868222

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[(4-methoxybenzoyl)amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[(4-methoxybenzoyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	9.66	-20.78	1	5	0	59	374.44	6	↓ MOL2 SDF SMILES Flexibase

14561431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-iodo-4-methoxy-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3-iodo-4-methoxy-N-[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	10.81	-22.17	1	5	0	59	500.336	6	↓ MOL2 SDF SMILES Flexibase

14561444

Analogs

6306589

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[(4-methylbenzoyl)amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[(4-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)	3.62	11.02	-19.89	1	4	0	49	358.441	5	↓ MOL2 SDF SMILES Flexibase

14561450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3,4,5-trimethoxy-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3,4,5-trimethoxy-N-[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	9.51	-22.35	1	7	0	77	434.492	8	↓ MOL2 SDF SMILES Flexibase

14561457

Analogs

25469545
25469550

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-methoxy-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-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)	3.96	10.33	-22.55	1	5	0	59	453.336	6	↓ MOL2 SDF SMILES Flexibase

14561469

Analogs

37075467

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-methyl-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-methyl-N-[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	11.54	-21.02	1	4	0	49	437.337	5	↓ MOL2 SDF SMILES Flexibase

14561472

Analogs

14561783

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[4-(1,1-dimethylethyl)benzoyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[4-(1,1-dimethylet…

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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)	4.88	12.66	-19.31	1	4	0	49	400.522	6	↓ MOL2 SDF SMILES Flexibase

14561484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-iodo-4-methyl-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3-iodo-4-methyl-N-[3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	11.97	-20.85	1	4	0	49	484.337	5	↓ MOL2 SDF SMILES Flexibase

14561496

Analogs

4187710

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methoxy-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-methoxy-N-[3-[[meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	10.8	-25.25	1	5	0	59	374.44	6	↓ MOL2 SDF SMILES Flexibase

14561528

Analogs

37075530
4191343
4400780

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-chloro-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3-chloro-N-[3-[[methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	10.87	-17.71	1	4	0	49	378.859	5	↓ MOL2 SDF SMILES Flexibase

14561550

Analogs

33768544

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[(4-ethoxybenzoyl)amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[(4-ethoxybenzoyl)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)	3.60	10.59	-20.54	1	5	0	59	388.467	7	↓ MOL2 SDF SMILES Flexibase

14561562

Analogs

4187710

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-ethoxy-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-ethoxy-N-[3-[[methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.10	11.71	-26.24	1	5	0	59	388.467	7	↓ MOL2 SDF SMILES Flexibase

14561580

Analogs

16567989
59853835

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[4-(hexyloxy)benzoyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[4-(hexyloxy)benzo…

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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)	5.67	13.73	-20.2	1	5	0	59	444.575	11	↓ MOL2 SDF SMILES Flexibase

14561582

Analogs

16567989

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[[4-(pentyloxy)benzoyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[4-(penty…

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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)	5.17	12.95	-20.2	1	5	0	59	430.548	10	↓ MOL2 SDF SMILES Flexibase

14561584

Analogs

14561609
16567989

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[(4-butoxybenzoyl)amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[(4-butoxybenzoyl)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)	4.66	12.17	-20.24	1	5	0	59	416.521	9	↓ MOL2 SDF SMILES Flexibase

14561586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[[4-(2-methylpropoxy)benzoyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[4-(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)	4.35	12.08	-20.16	1	5	0	59	416.521	8	↓ MOL2 SDF SMILES Flexibase

14561588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-N-(phenylmethyl)-3-[(4-propoxybenzoyl)amino]- benzamide, N-methyl-N-(phenylmet…

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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)	4.11	11.39	-20.26	1	5	0	59	402.494	8	↓ MOL2 SDF SMILES Flexibase

14561590

Analogs

14561594

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-butoxy-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-butoxy-N-[3-[[methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	13.3	-26.18	1	5	0	59	416.521	9	↓ MOL2 SDF SMILES Flexibase

14561592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(hexyloxy)-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-(hexyloxy)-N-[3-[[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)	6.18	14.86	-26.09	1	5	0	59	444.575	11	↓ MOL2 SDF SMILES Flexibase

14561594

Analogs

14561590

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(3-methylbutoxy)-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-(3-methylbutoxy)-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)	5.38	13.82	-26.04	1	5	0	59	430.548	9	↓ MOL2 SDF SMILES Flexibase

14561603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]-2-(2-methylpropoxy)- benzamide, N-[3-[[methyl(phenylm…

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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	13.18	-25.91	1	5	0	59	416.521	8	↓ MOL2 SDF SMILES Flexibase

14561605

Analogs

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Popular Name: benzamide, N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]-2-(pentyloxy)- benzamide, N-[3-[[methyl(phenylm…

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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)	5.67	14.08	-26.04	1	5	0	59	430.548	10	↓ MOL2 SDF SMILES Flexibase

14561607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]-2-propoxy- benzamide, N-[3-[[methyl(phenylm…

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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)	4.61	12.52	-26.13	1	5	0	59	402.494	8	↓ MOL2 SDF SMILES Flexibase

14561609

Analogs

16567989
14561584

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[[4-(3-methylbutoxy)benzoyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[4-(3-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.88	12.69	-20.11	1	5	0	59	430.548	9	↓ MOL2 SDF SMILES Flexibase

14561611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-fluoro-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 2-fluoro-N-[3-[[methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	10.43	-26.79	1	4	0	49	362.404	5	↓ MOL2 SDF SMILES Flexibase

14561622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-methyl-3-[[4-(1-methylethoxy)benzoyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[4-(1-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)	3.97	11.22	-20.23	1	5	0	59	402.494	7	↓ MOL2 SDF SMILES Flexibase

14561641

Analogs

14561669

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-butoxy-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-butoxy-N-[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.40	12.84	-22.06	1	5	0	59	495.417	9	↓ MOL2 SDF SMILES Flexibase

14561645

Analogs

14561665

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-butoxy-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3-butoxy-N-[3-[[methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.64	12.16	-24.63	1	5	0	59	416.521	9	↓ MOL2 SDF SMILES Flexibase

14561647

Analogs

31369956

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-ethoxy-N-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- benzamide, 3-ethoxy-N-[3-[[methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	10.58	-24.95	1	5	0	59	388.467	7	↓ 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

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 = 579 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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