ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

749720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-benzamido-N-cyclopropyl-2-piperidino-benzamide 5-benzamido-N-cyclopropyl-2-pipe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.33	-2.1	-13.42	2	5	0	61	363.461	5	↓ MOL2 SDF SMILES Flexibase

749721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-[(4-fluorobenzoyl)amino]-2-piperidino-benzamide N-cyclopropyl-5-[(4-fluorobenzoy…

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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)	3.49	-1.36	-13.36	2	5	0	61	381.451	5	↓ MOL2 SDF SMILES Flexibase

749722

Analogs

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Popular Name: N-cyclopropyl-5-(p-anisoylamino)-2-piperidino-benzamide N-cyclopropyl-5-(p-anisoylamino)…

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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)	3.38	-2.06	-14.51	2	6	0	70	393.487	6	↓ MOL2 SDF SMILES Flexibase

749723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-2-piperidino-benzamide 5-[(2-chlorobenzoyl)amino]-N-cyc…

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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	-2.22	-15.01	2	5	0	61	397.906	5	↓ MOL2 SDF SMILES Flexibase

749724

Analogs

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Popular Name: N-cyclopropyl-5-[(2,4-dichlorobenzoyl)amino]-2-piperidino-benzamide N-cyclopropyl-5-[(2,4-dichlorobe…

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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	10.15	-18.17	2	5	0	61	432.351	5	↓ MOL2 SDF SMILES Flexibase

749725

Analogs

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Popular Name: N-cyclopropyl-5-[(4-nitrobenzoyl)amino]-2-piperidino-benzamide N-cyclopropyl-5-[(4-nitrobenzoyl…

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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)	3.28	-1.58	-16.45	2	8	0	107	408.458	6	↓ MOL2 SDF SMILES Flexibase

749726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-[(3-nitrobenzoyl)amino]-2-piperidino-benzamide N-cyclopropyl-5-[(3-nitrobenzoyl…

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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)	3.26	-1.58	-21.35	2	8	0	107	408.458	6	↓ MOL2 SDF SMILES Flexibase

749727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-piperidino-5-(p-toluoylamino)benzamide N-cyclopropyl-2-piperidino-5-(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)	3.77	-1.78	-13.18	2	5	0	61	377.488	5	↓ MOL2 SDF SMILES Flexibase

749730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-(o-toluoylamino)-2-piperidino-benzamide N-cyclopropyl-5-(o-toluoylamino)…

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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	-1.85	-12.49	2	5	0	61	377.488	5	↓ MOL2 SDF SMILES Flexibase

749732

Analogs

33780057
33855170
735356
736693
736694

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-N-cyclopropyl-2-piperidino-benzamide 5-[(2-chloro-4-nitro-benzoyl)ami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	-1.7	-17.4	2	8	0	107	442.903	6	↓ MOL2 SDF SMILES Flexibase

749741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-[3-(cyclopropylcarbamoyl)-4-piperidino-phenyl]benzamide 3,4-dichloro-N-[3-(cyclopropylca…

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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	10.09	-18.7	2	5	0	61	432.351	5	↓ MOL2 SDF SMILES Flexibase

749742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-tert-butylbenzoyl)amino]-N-cyclopropyl-2-piperidino-benzamide 5-[(4-tert-butylbenzoyl)amino]-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)	5.03	-0.95	-12.73	2	5	0	61	419.569	6	↓ MOL2 SDF SMILES Flexibase

749743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylcarbamoyl)-4-piperidino-phenyl]-3,5-dimethoxy-benzamide N-[3-(cyclopropylcarbamoyl)-4-pi…

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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)	3.37	-2.07	-14.59	2	7	0	79	423.513	7	↓ MOL2 SDF SMILES Flexibase

749744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-[(3-fluorobenzoyl)amino]-2-piperidino-benzamide N-cyclopropyl-5-[(3-fluorobenzoy…

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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)	3.46	-1.36	-12.09	2	5	0	61	381.451	5	↓ MOL2 SDF SMILES Flexibase

749746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-piperidino-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide N-cyclopropyl-2-piperidino-5-[[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)	4.20	10.13	-20.2	2	5	0	61	431.458	6	↓ MOL2 SDF SMILES Flexibase

749747

Analogs

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Popular Name: 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-piperidino-benzamide 5-[(3-bromobenzoyl)amino]-N-cycl…

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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	9.74	-14.8	2	5	0	61	442.357	5	↓ MOL2 SDF SMILES Flexibase

749748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[3-(cyclopropylcarbamoyl)-4-piperidino-phenyl]-3-nitro-benzamide 4-chloro-N-[3-(cyclopropylcarbam…

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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)	3.89	-1.76	-20.92	2	8	0	107	442.903	6	↓ MOL2 SDF SMILES Flexibase

749749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-bromobenzoyl)amino]-N-cyclopropyl-2-piperidino-benzamide 5-[(4-bromobenzoyl)amino]-N-cycl…

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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	10.68	-11.78	2	5	0	61	442.357	5	↓ MOL2 SDF SMILES Flexibase

749752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylcarbamoyl)-4-piperidino-phenyl]-4-methyl-3-nitro-benzamide N-[3-(cyclopropylcarbamoyl)-4-pi…

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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)	3.66	-1.4	-21.24	2	8	0	107	422.485	6	↓ MOL2 SDF SMILES Flexibase

749753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-(m-anisoylamino)-2-piperidino-benzamide N-cyclopropyl-5-(m-anisoylamino)…

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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)	3.36	-2.08	-16.06	2	6	0	70	393.487	6	↓ MOL2 SDF SMILES Flexibase

749754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-[(4-ethylbenzoyl)amino]-2-piperidino-benzamide N-cyclopropyl-5-[(4-ethylbenzoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	-1.63	-13.04	2	5	0	61	391.515	6	↓ MOL2 SDF SMILES Flexibase

750090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-benzamido-N-cyclopropyl-2-(4-methylpiperidino)benzamide 5-benzamido-N-cyclopropyl-2-(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)	3.57	9.7	-17	2	5	0	61	377.488	5	↓ MOL2 SDF SMILES Flexibase

750091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-[(4-fluorobenzoyl)amino]-2-(4-methylpiperidino)benzamide N-cyclopropyl-5-[(4-fluorobenzoy…

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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	-1.01	-13.31	2	5	0	61	395.478	5	↓ MOL2 SDF SMILES Flexibase

750092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(4-methylpiperidino)-5-(p-anisoylamino)benzamide N-cyclopropyl-2-(4-methylpiperid…

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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	-1.71	-14.33	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

750093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidino)benzamide N-cyclopropyl-5-[(2,4-dichlorobe…

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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	10.74	-17.94	2	5	0	61	446.378	5	↓ MOL2 SDF SMILES Flexibase

750095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-chlorobenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidino)benzamide 5-[(4-chlorobenzoyl)amino]-N-cyc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	-1.9	-12.82	2	5	0	61	411.933	5	↓ MOL2 SDF SMILES Flexibase

750096

Analogs

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Popular Name: N-cyclopropyl-2-(4-methylpiperidino)-5-[(4-nitrobenzoyl)amino]benzamide N-cyclopropyl-2-(4-methylpiperid…

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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	-1.23	-16.41	2	8	0	107	422.485	6	↓ MOL2 SDF SMILES Flexibase

750097

Analogs

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Popular Name: N-cyclopropyl-2-(4-methylpiperidino)-5-[(3-nitrobenzoyl)amino]benzamide N-cyclopropyl-2-(4-methylpiperid…

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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)	3.50	-1.23	-21.3	2	8	0	107	422.485	6	↓ MOL2 SDF SMILES Flexibase

750098

Analogs

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Popular Name: N-cyclopropyl-2-(4-methylpiperidino)-5-(p-toluoylamino)benzamide N-cyclopropyl-2-(4-methylpiperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	-1.43	-13.21	2	5	0	61	391.515	5	↓ MOL2 SDF SMILES Flexibase

750105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidino)benzamide 5-[(2-chloro-4-nitro-benzoyl)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)	4.13	10.88	-21.68	2	8	0	107	456.93	6	↓ MOL2 SDF SMILES Flexibase

750114

Analogs

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Popular Name: N-cyclopropyl-5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidino)benzamide N-cyclopropyl-5-[(2-fluorobenzoy…

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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)	3.68	-1.08	-17.34	2	5	0	61	395.478	5	↓ MOL2 SDF SMILES Flexibase

750115

Analogs

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Popular Name: N-cyclopropyl-5-[(3,5-dimethoxybenzoyl)amino]-2-(4-methylpiperidino)benzamide N-cyclopropyl-5-[(3,5-dimethoxyb…

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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	-1.7	-14.28	2	7	0	79	437.54	7	↓ MOL2 SDF SMILES Flexibase

750116

Analogs

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Popular Name: N-cyclopropyl-5-[(3-fluorobenzoyl)amino]-2-(4-methylpiperidino)benzamide N-cyclopropyl-5-[(3-fluorobenzoy…

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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)	3.71	-1	-11.84	2	5	0	61	395.478	5	↓ MOL2 SDF SMILES Flexibase

750119

Analogs

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Popular Name: 5-[(4-chloro-3-nitro-benzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidino)benzamide 5-[(4-chloro-3-nitro-benzoyl)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)	4.13	10.74	-25.5	2	8	0	107	456.93	6	↓ MOL2 SDF SMILES Flexibase

750120

Analogs

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Popular Name: 5-[(4-bromobenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidino)benzamide 5-[(4-bromobenzoyl)amino]-N-cycl…

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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)	4.38	10.32	-16.58	2	5	0	61	456.384	5	↓ MOL2 SDF SMILES Flexibase

750123

Analogs

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Popular Name: N-cyclopropyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidino)benzamide N-cyclopropyl-5-[(2,4-dimethoxyb…

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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)	4.16	9.51	-20.68	2	7	0	80	437.54	7	↓ MOL2 SDF SMILES Flexibase

750125

Analogs

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Popular Name: N-[3-(cyclopropylcarbamoyl)-4-(4-methylpiperidino)phenyl]-4-methyl-3-nitro-benzamide N-[3-(cyclopropylcarbamoyl)-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)	3.90	10.91	-25.89	2	8	0	107	436.512	6	↓ MOL2 SDF SMILES Flexibase

750128

Analogs

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Popular Name: N-cyclopropyl-5-[(4-ethylbenzoyl)amino]-2-(4-methylpiperidino)benzamide N-cyclopropyl-5-[(4-ethylbenzoyl…

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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	-1.27	-12.95	2	5	0	61	405.542	6	↓ MOL2 SDF SMILES Flexibase

750138

Analogs

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Popular Name: N-cyclopropyl-2-(4-methylpiperidino)-5-(o-anisoylamino)benzamide N-cyclopropyl-2-(4-methylpiperid…

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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	-1.06	-15.99	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

750139

Analogs

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Popular Name: 5-[(3-chlorobenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidino)benzamide 5-[(3-chlorobenzoyl)amino]-N-cyc…

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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)	4.22	-1.89	-11.5	2	5	0	61	411.933	5	↓ MOL2 SDF SMILES Flexibase

750140

Analogs

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Popular Name: N-cyclopropyl-5-[(3,5-dichlorobenzoyl)amino]-2-(4-methylpiperidino)benzamide N-cyclopropyl-5-[(3,5-dichlorobe…

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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	10.74	-15.08	2	5	0	61	446.378	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 896
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 = 896 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=896&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": "896"        

    });
</script>

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