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ZINC Item

Suppliers, Protomers, & Similar Substances

20118351

Analogs

31828980

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 4-[[[4-[[(1-phenylethyl)amino]carbonyl]phenyl]amino]carbonyl]-, methyl ester benzoic acid, 4-[[[4-[[(1-phenyl…

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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)	4.15	10.09	-18.5	2	6	0	85	402.45	7	↓ MOL2 SDF SMILES Flexibase

20118349

Analogs

31828980

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 4-[[[4-[[(1-phenylethyl)amino]carbonyl]phenyl]amino]carbonyl]-, methyl ester benzoic acid, 4-[[[4-[[(1-phenyl…

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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)	4.15	10.08	-18.66	2	6	0	85	402.45	7	↓ MOL2 SDF SMILES Flexibase

20118347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(1-methylethyl)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(1-methylethyl)-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)	5.49	11.4	-12.09	2	4	0	58	386.495	6	↓ MOL2 SDF SMILES Flexibase

20118345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(1-methylethyl)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(1-methylethyl)-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)	5.49	11.4	-11.98	2	4	0	58	386.495	6	↓ MOL2 SDF SMILES Flexibase

20118339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 3-[[[4-[[(1-phenylethyl)amino]carbonyl]phenyl]amino]carbonyl]-, methyl ester benzoic acid, 3-[[[4-[[(1-phenyl…

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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)	4.13	10.09	-22	2	6	0	85	402.45	7	↓ MOL2 SDF SMILES Flexibase

20118337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 3-[[[4-[[(1-phenylethyl)amino]carbonyl]phenyl]amino]carbonyl]-, methyl ester benzoic acid, 3-[[[4-[[(1-phenyl…

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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)	4.13	10.08	-22.17	2	6	0	85	402.45	7	↓ MOL2 SDF SMILES Flexibase

20118317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(1-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(1-methylpropoxy)-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)	5.25	11.14	-17.21	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(1-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(1-methylpropoxy)-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)	5.25	11.14	-17.22	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(1-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(1-methylpropoxy)-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)	5.25	11.13	-17.34	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(1-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(1-methylpropoxy)-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)	5.25	11.13	-17.32	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(1-methylethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(1-methylethoxy)-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)	4.75	10.37	-14.79	2	5	0	67	402.494	7	↓ MOL2 SDF SMILES Flexibase

20118310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(1-methylethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(1-methylethoxy)-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)	4.75	10.37	-14.73	2	5	0	67	402.494	7	↓ MOL2 SDF SMILES Flexibase

20118308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(1-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(1-methylpropoxy)-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)	5.28	11.11	-15.56	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(1-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(1-methylpropoxy)-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)	5.28	11.1	-15.01	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(1-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(1-methylpropoxy)-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)	5.28	11.1	-15.71	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(1-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(1-methylpropoxy)-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)	5.28	11.09	-15.14	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(2-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(2-methylpropoxy)-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)	5.13	11.2	-14.47	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(2-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(2-methylpropoxy)-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)	5.13	11.21	-14.37	2	5	0	67	416.521	8	↓ MOL2 SDF SMILES Flexibase

20118298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(2-ethoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(2-ethoxyethoxy)-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)	4.28	9.91	-19.84	2	6	0	77	432.52	10	↓ MOL2 SDF SMILES Flexibase

20118297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-(2-ethoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-(2-ethoxyethoxy)-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)	4.28	9.9	-19.99	2	6	0	77	432.52	10	↓ MOL2 SDF SMILES Flexibase

20118276

Analogs

31828374
37089501

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3,5-dichloro-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3,5-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)	5.26	10.45	-18.21	2	4	0	58	413.304	5	↓ MOL2 SDF SMILES Flexibase

20118274

Analogs

31828374
37089501

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3,5-dichloro-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3,5-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)	5.26	10.46	-18.18	2	4	0	58	413.304	5	↓ MOL2 SDF SMILES Flexibase

20118256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(2-ethoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 2-(2-ethoxyethoxy)-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)	4.80	11.02	-25.34	2	6	0	77	432.52	10	↓ MOL2 SDF SMILES Flexibase

20118255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(2-ethoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 2-(2-ethoxyethoxy)-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)	4.80	11.02	-25.57	2	6	0	77	432.52	10	↓ MOL2 SDF SMILES Flexibase

20118253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(2-ethoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(2-ethoxyethoxy)-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)	4.30	9.92	-18.1	2	6	0	77	432.52	10	↓ MOL2 SDF SMILES Flexibase

20118251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(2-ethoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(2-ethoxyethoxy)-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)	4.30	9.91	-18.2	2	6	0	77	432.52	10	↓ MOL2 SDF SMILES Flexibase

20118247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-methoxy-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- 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)	5.32	10.53	-15.63	2	5	0	67	453.336	6	↓ MOL2 SDF SMILES Flexibase

20118245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-methoxy-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- 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)	5.32	10.53	-20.48	2	5	0	67	453.336	6	↓ MOL2 SDF SMILES Flexibase

20118240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-ethoxy-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-ethoxy-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)	5.15	10.35	-23.41	2	5	0	67	467.363	7	↓ MOL2 SDF SMILES Flexibase

20118239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-ethoxy-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-ethoxy-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)	5.15	10.34	-23.61	2	5	0	67	467.363	7	↓ MOL2 SDF SMILES Flexibase

20118225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-(1-methylethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 5-bromo-2-(1-methylet…

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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)	6.06	12.1	-13.23	2	5	0	67	481.39	7	↓ MOL2 SDF SMILES Flexibase

20118223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-(1-methylethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 5-bromo-2-(1-methylet…

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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)	6.06	12.09	-13.14	2	5	0	67	481.39	7	↓ MOL2 SDF SMILES Flexibase

20118221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-(2-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 5-bromo-2-(2-methylpr…

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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)	6.44	12.96	-12.99	2	5	0	67	495.417	8	↓ MOL2 SDF SMILES Flexibase

20118219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-(2-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 5-bromo-2-(2-methylpr…

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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)	6.44	12.95	-12.84	2	5	0	67	495.417	8	↓ MOL2 SDF SMILES Flexibase

20118206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(1-methylethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 2-(1-methylethoxy)-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)	5.28	11.47	-15.18	2	5	0	67	402.494	7	↓ MOL2 SDF SMILES Flexibase

20118205

Analogs

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Popular Name: benzamide, 2-(1-methylethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 2-(1-methylethoxy)-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)	5.28	11.47	-15.1	2	5	0	67	402.494	7	↓ MOL2 SDF SMILES Flexibase

20118204

Analogs

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Popular Name: benzamide, 5-bromo-2-(2-methoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 5-bromo-2-(2-methoxye…

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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)	5.21	10.67	-17.62	2	6	0	77	497.389	9	↓ MOL2 SDF SMILES Flexibase

20118202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-(2-methoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 5-bromo-2-(2-methoxye…

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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)	5.21	10.67	-22.71	2	6	0	77	497.389	9	↓ MOL2 SDF SMILES Flexibase

20118196

Analogs

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Popular Name: benzamide, 3-bromo-4-(2-methoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-(2-methoxye…

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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	9.6	-25.67	2	6	0	77	497.389	9	↓ MOL2 SDF SMILES Flexibase

20118194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-(2-methoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-(2-methoxye…

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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	9.59	-25.86	2	6	0	77	497.389	9	↓ MOL2 SDF SMILES Flexibase

20118192

Analogs

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Popular Name: benzamide, 2-(2-methoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- 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)	4.43	10.05	-25.41	2	6	0	77	418.493	9	↓ MOL2 SDF SMILES Flexibase

20118190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(2-methoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- 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)	4.43	10.05	-25.54	2	6	0	77	418.493	9	↓ MOL2 SDF SMILES Flexibase

20118188

Analogs

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Popular Name: benzamide, 3-bromo-4-(1-methylethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-(1-methylet…

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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)	5.51	11	-14.84	2	5	0	67	481.39	7	↓ MOL2 SDF SMILES Flexibase

20118187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-(1-methylethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-(1-methylet…

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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)	5.51	11	-14.71	2	5	0	67	481.39	7	↓ MOL2 SDF SMILES Flexibase

20118185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(2-methoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(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)	3.93	8.95	-18.08	2	6	0	77	418.493	9	↓ MOL2 SDF SMILES Flexibase

20118183

Analogs

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Popular Name: benzamide, 4-(2-methoxyethoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 4-(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)	3.93	8.94	-18.25	2	6	0	77	418.493	9	↓ MOL2 SDF SMILES Flexibase

20118181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-ethoxy-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 5-bromo-2-ethoxy-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)	5.70	11.44	-15.51	2	5	0	67	467.363	7	↓ MOL2 SDF SMILES Flexibase

20118179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-ethoxy-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 5-bromo-2-ethoxy-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)	5.70	11.44	-20.43	2	5	0	67	467.363	7	↓ MOL2 SDF SMILES Flexibase

20118177

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-(2-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-(2-methylpr…

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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)	5.90	11.88	-14.67	2	5	0	67	495.417	8	↓ MOL2 SDF SMILES Flexibase

20118176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-(2-methylpropoxy)-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]- benzamide, 3-bromo-4-(2-methylpr…

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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)	5.90	11.87	-14.5	2	5	0	67	495.417	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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