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ZINC Item

Suppliers, Protomers, & Similar Substances

10509448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[[4-(acetylamino)phenyl]amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[[4-(acetylamino)p…

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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	-1.51	-26.35	3	6	0	79	433.533	9	↓ MOL2 SDF SMILES Flexibase

10509456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-chlorophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3-chlorophenyl)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)	5.40	-0.55	-23.46	2	4	0	50	410.926	8	↓ MOL2 SDF SMILES Flexibase

10509458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[(ethylphenylamino)thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[(ethylphenylamino)…

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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)	6.00	1.33	-22.93	1	4	0	41	404.535	9	↓ MOL2 SDF SMILES Flexibase

10509467

Analogs

10509510
10509565
10510290
10510380
14669141

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(4-hydroxyphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-hydroxyphenyl)…

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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	-2.37	-23.83	3	5	0	70	392.48	8	↓ MOL2 SDF SMILES Flexibase

10509470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(2,4-dichlorophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2,4-dichlorophen…

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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)	6.03	-0.55	-17.64	2	4	0	50	445.371	8	↓ MOL2 SDF SMILES Flexibase

10509477

Analogs

10509608

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-methylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3-methylphenyl)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)	5.17	13.42	-21.55	2	4	0	50	390.508	8	↓ MOL2 SDF SMILES Flexibase

10509480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[(phenylamino)thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[(phenylamino)thiox…

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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)	4.74	-0.39	-21.75	2	4	0	50	376.481	8	↓ MOL2 SDF SMILES Flexibase

10509485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(2-chlorophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-chlorophenyl)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)	5.37	-0.4	-18.85	2	4	0	50	410.926	8	↓ MOL2 SDF SMILES Flexibase

10509490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3-nitrophenyl)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)	4.68	0.12	-21.82	2	7	0	96	421.478	9	↓ MOL2 SDF SMILES Flexibase

10509494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-chlorophenyl)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)	5.42	-0.54	-21.41	2	4	0	50	410.926	8	↓ MOL2 SDF SMILES Flexibase

10509498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3,4-dimethylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3,4-dimethylphen…

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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)	5.57	13.96	-21.82	2	4	0	50	404.535	8	↓ MOL2 SDF SMILES Flexibase

10509503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[[4-(diethylamino)phenyl]amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[[4-(diethylamino)…

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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)	5.60	0.12	-22.31	2	5	0	53	447.604	11	↓ MOL2 SDF SMILES Flexibase

10509508

Analogs

10509575

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(2,4-dimethylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2,4-dimethylphen…

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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)	5.57	0.42	-21.84	2	4	0	50	404.535	8	↓ MOL2 SDF SMILES Flexibase

10509510

Analogs

10509565
10510290
10510380
14669141
7542244

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(4-ethoxyphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-ethoxyphenyl)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)	5.18	-0.36	-23.39	2	5	0	59	420.534	10	↓ MOL2 SDF SMILES Flexibase

10509515

Analogs

10509548
10509670
20120385

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(4-acetylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-acetylphenyl)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)	4.64	0.03	-23.32	2	5	0	67	418.518	9	↓ MOL2 SDF SMILES Flexibase

10509522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(4-bromophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-bromophenyl)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)	5.55	-1.15	-21.4	2	4	0	50	455.377	8	↓ MOL2 SDF SMILES Flexibase

10509527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[[4-(acetylmethylamino)phenyl]amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[[4-(acetylmethyla…

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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	0.12	-27.31	2	6	0	70	447.56	9	↓ MOL2 SDF SMILES Flexibase

10509534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(4-fluorophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-fluorophenyl)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)	4.91	0.35	-22.1	2	4	0	50	394.471	8	↓ MOL2 SDF SMILES Flexibase

10509548

Analogs

10509670
20120385
10509515

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[[4-(aminocarbonyl)phenyl]amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[[4-(aminocarbonyl…

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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)	3.56	-3.11	-25.08	4	6	0	93	419.506	9	↓ MOL2 SDF SMILES Flexibase

10509552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(4-chloro-3-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-chloro-3-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)	5.31	-0.04	-31.4	2	7	0	96	455.923	9	↓ MOL2 SDF SMILES Flexibase

10509557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(4-iodophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-iodophenyl)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)	5.83	-1.22	-21.13	2	4	0	50	502.377	8	↓ MOL2 SDF SMILES Flexibase

10509562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[[4-(aminosulfonyl)phenyl]amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[[4-(aminosulfonyl…

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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)	3.44	-6.63	-29.89	4	7	0	110	455.561	9	↓ MOL2 SDF SMILES Flexibase

10509565

Analogs

10510290
10510380
14669141
7542244
10509467

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(4-methoxyphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-methoxyphenyl)…

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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	-0.38	-23.53	2	5	0	59	406.507	9	↓ MOL2 SDF SMILES Flexibase

10509570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(2-cyanophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-cyanophenyl)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)	4.45	1.03	-19.92	2	5	0	74	401.491	8	↓ MOL2 SDF SMILES Flexibase

10509575

Analogs

10509508

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(2-phenylethoxy)-N-[thioxo[(2,4,6-trimethylphenyl)amino]methyl]- benzamide, 2-(2-phenylethoxy)-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)	5.01	0.71	-21.52	2	4	0	50	418.562	8	↓ MOL2 SDF SMILES Flexibase

10509579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[[2-(aminocarbonyl)phenyl]amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[[2-(aminocarbonyl…

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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)	3.51	-2.72	-22.86	4	6	0	93	419.506	9	↓ MOL2 SDF SMILES Flexibase

10509590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3,4-dichlorophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3,4-dichlorophen…

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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)	6.03	-0.68	-20.09	2	4	0	50	445.371	8	↓ MOL2 SDF SMILES Flexibase

10509594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3,5-dichlorophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3,5-dichlorophen…

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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)	6.03	-0.7	-20.76	2	4	0	50	445.371	8	↓ MOL2 SDF SMILES Flexibase

10509599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(2-methyl-5-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-methyl-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)	5.08	0.61	-30.35	2	7	0	96	435.505	9	↓ MOL2 SDF SMILES Flexibase

10509608

Analogs

10509477

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3,5-dimethylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3,5-dimethylphen…

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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)	5.57	0.26	-21.55	2	4	0	50	404.535	8	↓ MOL2 SDF SMILES Flexibase

10509614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(2,5-dimethylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2,5-dimethylphen…

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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)	5.57	0.42	-21.82	2	4	0	50	404.535	8	↓ MOL2 SDF SMILES Flexibase

10509620

Analogs

10509638

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 4-[[[[2-(2-phenylethoxy)benzoyl]amino]thioxomethyl]amino]-, ethyl ester benzoic acid, 4-[[[[2-(2-phenyle…

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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	0.7	-23.66	2	6	0	76	448.544	11	↓ MOL2 SDF SMILES Flexibase

10509626

Analogs

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Popular Name: benzamide, N-[[(2-methoxy-5-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-methoxy-5-nitr…

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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)	4.69	12.8	-28.25	2	8	0	105	451.504	10	↓ MOL2 SDF SMILES Flexibase

10509628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(2-methyl-3-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-methyl-3-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)	5.06	0.51	-21.69	2	7	0	96	435.505	9	↓ MOL2 SDF SMILES Flexibase

10509633

Analogs

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Popular Name: benzamide, N-[[(2-methyl-4-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-methyl-4-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)	5.08	0.62	-24.4	2	7	0	96	435.505	9	↓ MOL2 SDF SMILES Flexibase

10509638

Analogs

10509620

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 4-[[[[2-(2-phenylethoxy)benzoyl]amino]thioxomethyl]amino]-, propyl ester benzoic acid, 4-[[[[2-(2-phenyle…

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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)	5.79	15.1	-23.42	2	6	0	77	462.571	12	↓ MOL2 SDF SMILES Flexibase

10509644

Analogs

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Popular Name: benzamide, N-[[(3-chloro-2-methylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3-chloro-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)	5.77	-0.06	-20.25	2	4	0	50	424.953	8	↓ MOL2 SDF SMILES Flexibase

10509655

Analogs

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Popular Name: benzamide, N-[[(2,5-dimethoxyphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2,5-dimethoxyphe…

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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)	4.79	11.42	-24	2	6	0	69	436.533	10	↓ MOL2 SDF SMILES Flexibase

10509659

Analogs

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Popular Name: benzamide, N-[[(2-hydroxy-5-methylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-hydroxy-5-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)	4.90	10.64	-23.16	3	5	0	71	406.507	8	↓ MOL2 SDF SMILES Flexibase

10509662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(2-hydroxy-4-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-hydroxy-4-nitr…

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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)	4.41	-1.77	-22.37	3	8	0	116	437.477	9	↓ MOL2 SDF SMILES Flexibase

10509665

Analogs

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Popular Name: benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-hydroxyphenyl)…

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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)	4.48	-2.31	-20.48	3	5	0	70	392.48	8	↓ MOL2 SDF SMILES Flexibase

10509670

Analogs

20120385
10509515
10509548

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Popular Name: benzamide, N-[[(4-methylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-methylphenyl)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)	5.19	-0.07	-21.72	2	4	0	50	390.508	8	↓ MOL2 SDF SMILES Flexibase

10509691

Analogs

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Popular Name: benzamide, N-[[(2-fluoro-5-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-fluoro-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)	4.79	0.88	-25.34	2	7	0	96	439.468	9	↓ MOL2 SDF SMILES Flexibase

10509722

Analogs

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Popular Name: benzamide, N-[[(3-acetylphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3-acetylphenyl)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)	4.62	13.11	-31.26	2	5	0	67	418.518	9	↓ MOL2 SDF SMILES Flexibase

10509787

Analogs

10510452
10510489
10122400
10122427

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Popular Name: benzamide, N-[[(3-methoxyphenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(3-methoxyphenyl)…

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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)	4.78	12.04	-21.44	2	5	0	60	406.507	9	↓ MOL2 SDF SMILES Flexibase

10509792

Analogs

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Popular Name: benzamide, N-[[(4-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(4-nitrophenyl)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)	4.70	0.13	-25.17	2	7	0	96	421.478	9	↓ MOL2 SDF SMILES Flexibase

10509804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 4-[[[[2-(2-phenylethoxy)benzoyl]amino]thioxomethyl]amino]-, methyl ester benzoic acid, 4-[[[[2-(2-phenyle…

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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	0.73	-23.8	2	6	0	76	434.517	10	↓ MOL2 SDF SMILES Flexibase

10509838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(2-nitrophenyl)amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[(2-nitrophenyl)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)	4.65	0.45	-20.23	2	7	0	96	421.478	9	↓ MOL2 SDF SMILES Flexibase

10509866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[[4-[(diethylamino)sulfonyl]phenyl]amino]thioxomethyl]-2-(2-phenylethoxy)- benzamide, N-[[[4-[(diethylamino…

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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	12.41	-28.51	2	7	0	88	511.669	12	↓ MOL2 SDF SMILES Flexibase

10509876

Analogs

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Popular Name: benzamide, 2-(2-phenylethoxy)-N-[thioxo[(2,4,5-trichlorophenyl)amino]methyl]- benzamide, 2-(2-phenylethoxy)-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)	6.63	-0.7	-18.54	2	4	0	50	479.816	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 9721
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 = 9721 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">
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