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ZINC Item

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22706108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2,6-dimethoxy-benzamide N-[[4-[(3-chlorobenzoyl)amino]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)	3.94	8.62	-29.07	3	7	0	89	469.95	8	↓ MOL2 SDF SMILES Flexibase

22708061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-2,4-dimethyl-benzamide N-[[4-[(2,4-dichlorobenzoyl)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)	5.38	11.84	-34.17	3	5	0	70	472.397	6	↓ MOL2 SDF SMILES Flexibase

22708064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-3,5-dimethyl-benzamide N-[[4-[(2,4-dichlorobenzoyl)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)	5.38	11.92	-21.23	3	5	0	70	472.397	6	↓ MOL2 SDF SMILES Flexibase

14552805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[(2-nitrobenzoyl)amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[(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)	3.58	11.74	-32.78	3	8	0	116	434.477	7	↓ MOL2 SDF SMILES Flexibase

14552806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2,4-dichloro-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2,4-dichloro-N-[[[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)	4.96	11.22	-27.01	3	5	0	70	458.37	6	↓ MOL2 SDF SMILES Flexibase

14552807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-iodo-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-iodo-N-[[[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)	4.71	11.32	-21.1	3	5	0	70	515.376	6	↓ MOL2 SDF SMILES Flexibase

14552808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-chloro-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-chloro-N-[[[4-[(2-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)	4.30	10.77	-22.94	3	5	0	70	423.925	6	↓ MOL2 SDF SMILES Flexibase

14552809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[[(4-chlorobenzoyl)amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[(4-chlorobenz…

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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	10.8	-20.47	3	5	0	70	423.925	6	↓ MOL2 SDF SMILES Flexibase

14552811

Analogs

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Popular Name: benzamide, 2-methyl-N-[4-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[(3-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)	3.61	10.92	-29.62	3	8	0	116	434.477	7	↓ MOL2 SDF SMILES Flexibase

14552812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]-3,5-dinitro- benzamide, N-[[[4-[(2-methylbenz…

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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)	3.52	11.59	-23.14	3	11	0	162	479.474	8	↓ MOL2 SDF SMILES Flexibase

14552818

Analogs

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Popular Name: benzamide, N-[4-[[[(4-methoxybenzoyl)amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[(4-methoxyben…

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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	9.57	-22.18	3	6	0	79	419.506	7	↓ MOL2 SDF SMILES Flexibase

14552819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[(3-methylbenzoyl)amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[(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)	4.10	10.93	-21.19	3	5	0	70	403.507	6	↓ MOL2 SDF SMILES Flexibase

14552821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3,4,5-trimethoxy-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 3,4,5-trimethoxy-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)	3.31	9.42	-23.49	3	8	0	98	479.558	9	↓ MOL2 SDF SMILES Flexibase

14552823

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.67	10.29	-21.14	3	5	0	70	389.48	6	↓ MOL2 SDF SMILES Flexibase

14552824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-methoxy-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- 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)	4.47	10.24	-24.36	3	6	0	79	498.402	7	↓ MOL2 SDF SMILES Flexibase

14552829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[(4-methylbenzoyl)amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[(4-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)	4.12	10.93	-20.91	3	5	0	70	403.507	6	↓ MOL2 SDF SMILES Flexibase

14552830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-methyl-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 3-bromo-4-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)	4.86	11.45	-22.46	3	5	0	70	482.403	6	↓ MOL2 SDF SMILES Flexibase

14552831

Analogs

14552905

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[[[4-(1,1-dimethylethyl)benzoyl]amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[[4-(1,1-dimet…

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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	12.57	-20.38	3	5	0	70	445.588	7	↓ MOL2 SDF SMILES Flexibase

14552832

Analogs

669810

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-methyl-N-[[[4-[(2-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)	4.07	10.88	-19.93	3	5	0	70	403.507	6	↓ MOL2 SDF SMILES Flexibase

14552836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-bromo-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-bromo-N-[[[4-[(2-me…

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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	10.88	-22.36	3	5	0	70	468.376	6	↓ MOL2 SDF SMILES Flexibase

14552838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[[(4-fluorobenzoyl)amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[(4-fluorobenz…

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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	10.34	-20.95	3	5	0	70	407.47	6	↓ MOL2 SDF SMILES Flexibase

14552839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[(4-nitrobenzoyl)amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[(4-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)	3.63	10.96	-23.83	3	8	0	116	434.477	7	↓ MOL2 SDF SMILES Flexibase

14552842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methoxy-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-methoxy-N-[[[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)	4.23	10.67	-24.2	3	6	0	79	419.506	7	↓ MOL2 SDF SMILES Flexibase

14552854

Analogs

14552892

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[[(3-chlorobenzoyl)amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[(3-chlorobenz…

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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)	4.33	10.76	-22.61	3	5	0	70	423.925	6	↓ MOL2 SDF SMILES Flexibase

14552856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[[(4-ethoxybenzoyl)amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[(4-ethoxybenz…

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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	10.53	-21.97	3	6	0	79	433.533	8	↓ MOL2 SDF SMILES Flexibase

14552858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-ethoxy-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-ethoxy-N-[[[4-[(2-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)	4.61	11.59	-24.26	3	6	0	79	433.533	8	↓ MOL2 SDF SMILES Flexibase

14552859

Analogs

14552861

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[[[4-(hexyloxy)benzoyl]amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[[4-(hexyloxy)…

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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	13.65	-21.65	3	6	0	79	489.641	12	↓ MOL2 SDF SMILES Flexibase

14552861

Analogs

14552862
14552859

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[[4-(pentyloxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[[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)	5.67	12.87	-21.58	3	6	0	79	475.614	11	↓ MOL2 SDF SMILES Flexibase

14552862

Analogs

14552861

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[[(4-butoxybenzoyl)amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[(4-butoxybenz…

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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	12.09	-21.7	3	6	0	79	461.587	10	↓ MOL2 SDF SMILES Flexibase

14552863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[[4-(2-methylpropoxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[[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)	4.85	12.02	-21.63	3	6	0	79	461.587	9	↓ MOL2 SDF SMILES Flexibase

14552864

Analogs

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Popular Name: benzamide, 2-methyl-N-[4-[[[(4-propoxybenzoyl)amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[(4-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)	4.61	11.33	-21.62	3	6	0	79	447.56	9	↓ MOL2 SDF SMILES Flexibase

14552865

Analogs

14552869

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-butoxy-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-butoxy-N-[[[4-[(2-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)	5.67	13.17	-24.09	3	6	0	79	461.587	10	↓ MOL2 SDF SMILES Flexibase

14552866

Analogs

14552869

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(hexyloxy)-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-(hexyloxy)-N-[[[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)	6.68	14.73	-23.97	3	6	0	79	489.641	12	↓ MOL2 SDF SMILES Flexibase

14552867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[[2-(3-methylbutoxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[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)	5.88	13.69	-23.97	3	6	0	79	475.614	10	↓ MOL2 SDF SMILES Flexibase

14552868

Analogs

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Popular Name: benzamide, 2-methyl-N-[4-[[[[2-(2-methylpropoxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[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)	5.35	13.06	-23.79	3	6	0	79	461.587	9	↓ MOL2 SDF SMILES Flexibase

14552869

Analogs

14552865
14552866

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Popular Name: benzamide, 2-methyl-N-[4-[[[[2-(pentyloxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[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)	6.17	13.95	-23.96	3	6	0	79	475.614	11	↓ MOL2 SDF SMILES Flexibase

14552870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[(2-propoxybenzoyl)amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[(2-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)	5.11	12.39	-24.05	3	6	0	79	447.56	9	↓ MOL2 SDF SMILES Flexibase

14552871

Analogs

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Popular Name: benzamide, 2-methyl-N-[4-[[[[4-(3-methylbutoxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[[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)	5.38	12.61	-21.52	3	6	0	79	475.614	10	↓ MOL2 SDF SMILES Flexibase

14552872

Analogs

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Popular Name: benzamide, 2-fluoro-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-fluoro-N-[[[4-[(2-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)	3.79	10.33	-25.61	3	5	0	70	407.47	6	↓ MOL2 SDF SMILES Flexibase

14552873

Analogs

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Popular Name: benzamide, 2-methyl-N-[4-[[[[4-(1-methylethoxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[[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)	4.47	11.07	-20.97	3	6	0	79	447.56	8	↓ MOL2 SDF SMILES Flexibase

14552879

Analogs

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Popular Name: benzamide, N-[4-[[[(3-butoxybenzoyl)amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[(3-butoxybenz…

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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)	5.14	12.08	-23.6	3	6	0	79	461.587	10	↓ MOL2 SDF SMILES Flexibase

14552880

Analogs

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Popular Name: benzamide, N-[4-[[[(3-ethoxybenzoyl)amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[(3-ethoxybenz…

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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)	4.08	10.48	-23.85	3	6	0	79	433.533	8	↓ MOL2 SDF SMILES Flexibase

14552881

Analogs

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Popular Name: benzamide, 2-methyl-N-[4-[[[(3-propoxybenzoyl)amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[(3-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)	4.59	11.3	-23.54	3	6	0	79	447.56	9	↓ MOL2 SDF SMILES Flexibase

14552882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[[3-(3-methylbutoxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[[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)	5.36	12.58	-23.44	3	6	0	79	475.614	10	↓ MOL2 SDF SMILES Flexibase

14552884

Analogs

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Popular Name: benzamide, 5-bromo-2-ethoxy-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 5-bromo-2-ethoxy-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)	5.39	12.16	-26.35	3	6	0	79	512.429	8	↓ MOL2 SDF SMILES Flexibase

14552885

Analogs

14552874

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Popular Name: benzamide, N-[4-[[[[4-(2-methoxyethoxy)benzoyl]amino]thioxomethyl]amino]phenyl]-2-methyl- benzamide, N-[4-[[[[4-(2-methoxy…

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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	9.78	-24.22	3	7	0	89	463.559	10	↓ MOL2 SDF SMILES Flexibase

14552886

Analogs

14552876

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(2-methoxyethoxy)-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 2-(2-methoxyethoxy)-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)	4.12	10.82	-26.65	3	7	0	89	463.559	10	↓ MOL2 SDF SMILES Flexibase

14552887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[4-[[[[2-(1-methylethoxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[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)	4.97	12.18	-24.1	3	6	0	79	447.56	8	↓ MOL2 SDF SMILES Flexibase

14552888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-ethoxy-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 3-bromo-4-ethoxy-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)	4.84	11.2	-24.17	3	6	0	79	512.429	8	↓ MOL2 SDF SMILES Flexibase

14552889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-methoxy-N-[[[4-[(2-methylbenzoyl)amino]phenyl]amino]thioxomethyl]- benzamide, 5-bromo-2-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)	5.01	11.3	-21.48	3	6	0	79	498.402	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 111152 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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>
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