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ZINC Item

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21143765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-methyl-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic 2-[[2-methyl-3-[(2-phenylacetyl)…

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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	9.67	-54.52	2	6	-1	98	387.415	6	↓ MOL2 SDF SMILES Flexibase

21143771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-benzoyl]amino]benzoic 2-[[3-[[2-(4-chlorophenyl)acetyl…

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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)	4.91	10.4	-63.23	2	6	-1	98	421.86	6	↓ MOL2 SDF SMILES Flexibase

21143774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic 2-[[4-chloro-3-[(2-phenylacetyl)…

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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)	4.46	9.74	-57.23	2	6	-1	98	407.833	6	↓ MOL2 SDF SMILES Flexibase

21143979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-2-methyl-benzoyl]amino]benzoic 2-[[3-[[2-(4-chlorophenyl)acetyl…

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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	10.17	-56	2	6	-1	98	421.86	6	↓ MOL2 SDF SMILES Flexibase

21143995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-benzoyl]amino]benzoic 2-[[3-[[2-(4-methoxyphenyl)acety…

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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)	4.26	8.96	-57.34	2	7	-1	108	417.441	7	↓ MOL2 SDF SMILES Flexibase

21144860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-[[2-(4-bromophenyl)acetyl]amino]-2-methyl-benzoyl]amino]benzoic 2-[[3-[[2-(4-bromophenyl)acetyl]…

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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)	5.02	10.27	-55.99	2	6	-1	98	466.311	6	↓ MOL2 SDF SMILES Flexibase

12404152

Analogs

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Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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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)	4.09	0.62	-16.28	1	5	0	59	374.44	6	↓ MOL2 SDF SMILES Flexibase

12404250

Analogs

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Popular Name:

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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)	4.46	0.9	-15.71	1	5	0	59	388.467	7	↓ MOL2 SDF SMILES Flexibase

14562339

Analogs

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Popular Name: benzeneacetamide, N-[3-[(ethylphenylamino)carbonyl]phenyl]-2-methyl- benzeneacetamide, N-[3-[(ethylph…

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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)	4.81	11.41	-13.81	1	4	0	49	372.468	6	↓ MOL2 SDF SMILES Flexibase

14562345

Analogs

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Popular Name: benzeneacetamide, 2-methyl-N-[3-[(methylphenylamino)carbonyl]phenyl]- benzeneacetamide, 2-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)	4.43	10.67	-21.85	1	4	0	49	358.441	5	↓ MOL2 SDF SMILES Flexibase

14562352

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(3-chlorophenyl)amino]carbonyl]phenyl]-2-methyl- benzeneacetamide, N-[3-[[(3-chlo…

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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)	4.84	10.2	-14.97	2	4	0	58	378.859	5	↓ MOL2 SDF SMILES Flexibase

14562382

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(4-fluorophenyl)amino]carbonyl]phenyl]-2-methyl- benzeneacetamide, N-[3-[[(4-fluo…

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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	9.76	-14.13	2	4	0	58	362.404	5	↓ MOL2 SDF SMILES Flexibase

4550436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-3-(2-phenylacetyl)amino-benzoyl]aminobenzoic 2-[4-methyl-3-(2-phenylacetyl)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)	4.23	0.25	-63.42	2	6	-1	98	387.415	6	↓ MOL2 SDF SMILES Flexibase

14563538

Analogs

37027963

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, N-[3-[[(3-methylphenyl)amino]carbonyl]phenyl]- benzeneacetamide, N-[3-[[(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)	4.21	9.89	-13.95	2	4	0	58	344.414	5	↓ MOL2 SDF SMILES Flexibase

14563879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 2-methyl-N-[3-[[(3-methylphenyl)amino]carbonyl]phenyl]- benzeneacetamide, 2-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)	4.61	10.34	-21.52	2	4	0	58	358.441	5	↓ MOL2 SDF SMILES Flexibase

14565786

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl]-4-methoxy- benzeneacetamide, N-[3-[[(3-chlo…

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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	9.08	-17.79	2	5	0	67	412.848	6	↓ MOL2 SDF SMILES Flexibase

14565803

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl]- benzeneacetamide, N-[3-[[(3-chlo…

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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)	4.56	9.78	-16	2	4	0	58	382.822	5	↓ MOL2 SDF SMILES Flexibase

14565882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 4-chloro-N-[3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl]- benzeneacetamide, 4-chloro-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)	5.23	10.3	-16.38	2	4	0	58	417.267	5	↓ MOL2 SDF SMILES Flexibase

14566122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, N-[3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl]-2-methyl- benzeneacetamide, N-[3-[[(3-chlo…

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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)	4.96	10.27	-15.83	2	4	0	58	396.849	5	↓ MOL2 SDF SMILES Flexibase

14567145

Analogs

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Popular Name: benzeneacetamide, 4-methoxy-N-[3-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]phenyl]- benzeneacetamide, 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)	4.72	9.51	-18	2	5	0	67	428.41	7	↓ MOL2 SDF SMILES Flexibase

14567219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 4-chloro-N-[3-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]phenyl]- benzeneacetamide, 4-chloro-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)	5.34	10.73	-16.63	2	4	0	58	432.829	6	↓ MOL2 SDF SMILES Flexibase

14567434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 2-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]phenyl]- benzeneacetamide, 2-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)	5.06	10.69	-23.74	2	4	0	58	412.411	6	↓ MOL2 SDF SMILES Flexibase

66153961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 4-amino-N-[3-[(methylphenylamino)carbonyl]phenyl]- benzeneacetamide, 4-amino-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)	3.11	8.07	-22.22	3	5	0	75	359.429	5	↓ MOL2 SDF SMILES Flexibase

66153981

Analogs

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Popular Name: benzeneacetamide, 4-amino-N-[3-[[(4-fluorophenyl)amino]carbonyl]phenyl]- benzeneacetamide, 4-amino-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)	3.03	7.13	-21.27	4	5	0	84	363.392	5	↓ MOL2 SDF SMILES Flexibase

66153988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 4-amino-N-[3-[[(3-methylphenyl)amino]carbonyl]phenyl]- benzeneacetamide, 4-amino-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)	3.29	7.75	-21.79	4	5	0	84	359.429	5	↓ MOL2 SDF SMILES Flexibase

66197625

Analogs

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Popular Name: benzeneacetamide, 4-methoxy-N-[3-[(phenylamino)carbonyl]phenyl]- benzeneacetamide, 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)	3.84	8.49	-23.17	2	5	0	67	360.413	6	↓ MOL2 SDF SMILES Flexibase

66197634

Analogs

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Popular Name: benzeneacetamide, N-[3-[(phenylamino)carbonyl]phenyl]- benzeneacetamide, N-[3-[(phenyla…

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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)	3.79	9.18	-21.33	2	4	0	58	330.387	5	↓ MOL2 SDF SMILES Flexibase

66197674

Analogs

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Popular Name: benzeneacetamide, 4-chloro-N-[3-[(phenylamino)carbonyl]phenyl]- benzeneacetamide, 4-chloro-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)	4.46	9.71	-21.53	2	4	0	58	364.832	5	↓ MOL2 SDF SMILES Flexibase

66197818

Analogs

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Popular Name: benzeneacetamide, 2-methyl-N-[3-[(phenylamino)carbonyl]phenyl]- benzeneacetamide, 2-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)	4.19	9.67	-21.29	2	4	0	58	344.414	5	↓ MOL2 SDF SMILES Flexibase

66199042

Analogs

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Popular Name: benzeneacetamide, N-[3-[(ethylphenylamino)carbonyl]phenyl]-a-methyl-4-(2-methylpropyl)- benzeneacetamide, N-[3-[(ethylph…

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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)	6.51	14.08	-20.23	1	4	0	49	428.576	8	↓ MOL2 SDF SMILES Flexibase

66199043

Analogs

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Popular Name: benzeneacetamide, N-[3-[(ethylphenylamino)carbonyl]phenyl]-a-methyl-4-(2-methylpropyl)- benzeneacetamide, N-[3-[(ethylph…

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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)	6.51	14.07	-19.82	1	4	0	49	428.576	8	↓ MOL2 SDF SMILES Flexibase

66199048

Analogs

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Popular Name: benzeneacetamide, a-methyl-N-[3-[(methylphenylamino)carbonyl]phenyl]-4-(2-methylpropyl)- benzeneacetamide, a-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)	6.13	13.41	-21.94	1	4	0	49	414.549	7	↓ MOL2 SDF SMILES Flexibase

66199049

Analogs

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Popular Name: benzeneacetamide, a-methyl-N-[3-[(methylphenylamino)carbonyl]phenyl]-4-(2-methylpropyl)- benzeneacetamide, a-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)	6.13	13.4	-22.08	1	4	0	49	414.549	7	↓ MOL2 SDF SMILES Flexibase

66199056

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(3-chlorophenyl)amino]carbonyl]phenyl]-a-methyl-4-(2-methylpropyl)- benzeneacetamide, N-[3-[[(3-chlo…

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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)	6.54	12.93	-21.52	2	4	0	58	434.967	7	↓ MOL2 SDF SMILES Flexibase

66199057

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(3-chlorophenyl)amino]carbonyl]phenyl]-a-methyl-4-(2-methylpropyl)- benzeneacetamide, N-[3-[[(3-chlo…

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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)	6.54	12.93	-21.89	2	4	0	58	434.967	7	↓ MOL2 SDF SMILES Flexibase

66199092

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(4-fluorophenyl)amino]carbonyl]phenyl]-a-methyl-4-(2-methylpropyl)- benzeneacetamide, N-[3-[[(4-fluo…

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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)	6.05	12.47	-19.89	2	4	0	58	418.512	7	↓ MOL2 SDF SMILES Flexibase

66199093

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(4-fluorophenyl)amino]carbonyl]phenyl]-a-methyl-4-(2-methylpropyl)- benzeneacetamide, N-[3-[[(4-fluo…

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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)	6.05	12.47	-20.15	2	4	0	58	418.512	7	↓ MOL2 SDF SMILES Flexibase

66199116

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl]-a-methyl-4-(2-methylpropyl)- benzeneacetamide, N-[3-[[(3-chlo…

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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)	6.66	12.98	-21.68	2	4	0	58	452.957	7	↓ MOL2 SDF SMILES Flexibase

66199117

Analogs

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Popular Name: benzeneacetamide, N-[3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl]-a-methyl-4-(2-methylpropyl)- benzeneacetamide, N-[3-[[(3-chlo…

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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)	6.66	12.98	-21.92	2	4	0	58	452.957	7	↓ MOL2 SDF SMILES Flexibase

66199120

Analogs

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Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]phenyl]- benzeneacetamide, a-methyl-4-(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)	6.76	13.42	-22.78	2	4	0	58	468.519	8	↓ MOL2 SDF SMILES Flexibase

66199121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]phenyl]- benzeneacetamide, a-methyl-4-(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)	6.76	13.42	-23.17	2	4	0	58	468.519	8	↓ MOL2 SDF SMILES Flexibase

66199195

Analogs

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Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-[(phenylamino)carbonyl]phenyl]- benzeneacetamide, a-methyl-4-(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)	5.89	12.41	-20.38	2	4	0	58	400.522	7	↓ MOL2 SDF SMILES Flexibase

66199196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-[(phenylamino)carbonyl]phenyl]- benzeneacetamide, a-methyl-4-(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)	5.89	12.41	-20.54	2	4	0	58	400.522	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 82857
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 = 82857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=82857&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": "82857"        

    });
</script>

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