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ZINC Item

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53319479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2-iodo-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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	11.61	-10.52	1	4	0	36	531.825	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.88	13.86	-41.56	2	4	1	37	532.833	5	↓ MOL2 SDF SMILES Flexibase

22704083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3,5-dimethyl-benzamide N-[3-chloro-4-[4-[(2-chloropheny…

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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)	6.28	13.08	-11.62	1	4	0	36	468.428	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.28	15.31	-44.66	2	4	1	37	469.436	5	↓ MOL2 SDF SMILES Flexibase

22757675

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-iodo-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	11.16	-11.16	1	4	0	36	497.38	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.28	13.38	-46.3	2	4	1	37	498.388	5	↓ MOL2 SDF SMILES Flexibase

62575419

Analogs

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Popular Name: methyl methyl

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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	10.74	-20.41	1	8	0	80	489.572	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.73	12.96	-56.66	2	8	1	82	490.58	10	↓ MOL2 SDF SMILES Flexibase

57279046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-chloro-2-methoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	5.43	11.07	-11.52	1	5	0	45	435.955	6	↓ MOL2 SDF SMILES Flexibase

57279073

Analogs

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Popular Name: N-[4-(4-benzyl-1-piperazinyl)phenyl]-3,4-dimethoxybenzamide N-[4-(4-benzyl-1-piperazinyl)phe…

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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)	3.87	9.29	-13.58	1	6	0	54	431.536	7	↓ MOL2 SDF SMILES Flexibase

57279106

Analogs

4213515

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Popular Name: N-[4-(4-benzylpiperazino)phenyl]-2,4-dichlorobenzenecarboxamide N-[4-(4-benzylpiperazino)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)	5.50	11.1	-10.45	1	4	0	36	440.374	5	↓ MOL2 SDF SMILES Flexibase

57281507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methoxy-5-sulfamoyl-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	3.45	5.51	-18.33	3	8	0	105	480.59	7	↓ MOL2 SDF SMILES Flexibase

57285488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2,3,4,5,6-pentafluoro-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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	10.68	-8.1	1	4	0	36	495.879	5	↓ MOL2 SDF SMILES Flexibase

57285491

Analogs

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Popular Name: 3,4,5-triethoxy-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide 3,4,5-triethoxy-N-[4-[4-[(2-fluo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.09	12.09	-14.23	1	7	0	63	521.633	11	↓ MOL2 SDF SMILES Flexibase

54956590

Analogs

8742248

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-bromo-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	10.7	-9.84	1	4	0	36	450.38	5	↓ MOL2 SDF SMILES Flexibase

54956591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-fluoro-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	4.36	10.14	-12.22	1	4	0	36	389.474	5	↓ MOL2 SDF SMILES Flexibase

54956595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-bromo-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	10.68	-11.47	1	4	0	36	450.38	5	↓ MOL2 SDF SMILES Flexibase

55157313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide 4-fluoro-N-[4-[4-[(2-fluoropheny…

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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)	4.50	10.2	-11.08	1	4	0	36	407.464	5	↓ MOL2 SDF SMILES Flexibase

69707238

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,5-dimethoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	9.83	-13	1	6	0	54	431.536	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.81	12.05	-47.22	2	6	1	55	432.544	7	↓ MOL2 SDF SMILES Flexibase

69707271

Analogs

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Popular Name: ethyl ethyl

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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	12.34	-11.77	1	9	0	108	488.544	9	↓ MOL2 SDF SMILES Flexibase

55437985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4,5-trimethoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	3.85	9.22	-13.12	1	7	0	63	461.562	8	↓ MOL2 SDF SMILES Flexibase

55526912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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	11.85	-17.78	1	7	0	81	464.953	6	↓ MOL2 SDF SMILES Flexibase

55526914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-4-ethoxy-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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	10.79	-11.17	1	5	0	45	449.982	7	↓ MOL2 SDF SMILES Flexibase

55526916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3,4-dimethoxy-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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)	4.50	9.76	-14.19	1	6	0	54	465.981	7	↓ MOL2 SDF SMILES Flexibase

55526918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dichloro-N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]benzamide 2,3-dichloro-N-[4-[4-[(2-chlorop…

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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)	6.11	11.5	-13.24	1	4	0	36	474.819	5	↓ MOL2 SDF SMILES Flexibase

55526919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3-fluoro-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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)	4.99	10.6	-12.5	1	4	0	36	423.919	5	↓ MOL2 SDF SMILES Flexibase

55526922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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	12.25	-20.36	1	8	0	91	494.979	8	↓ MOL2 SDF SMILES Flexibase

55526923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3,4-dimethyl-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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)	5.68	11.77	-11.31	1	4	0	36	433.983	5	↓ MOL2 SDF SMILES Flexibase

55526925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2-nitro-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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)	4.76	11.86	-19.71	1	7	0	81	450.926	6	↓ MOL2 SDF SMILES Flexibase

55529262

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-propoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	11.1	-12.85	1	5	0	45	429.564	8	↓ MOL2 SDF SMILES Flexibase

55529273

Analogs

60638590

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methyl-3-nitro-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.56	11.38	-17.13	1	7	0	81	430.508	6	↓ MOL2 SDF SMILES Flexibase

55529283

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-chloro-4-ethoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	10.87	-9.72	1	5	0	45	449.982	7	↓ MOL2 SDF SMILES Flexibase

55529314

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-tert-butyl-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	5.93	12.4	-9.99	1	4	0	36	427.592	6	↓ MOL2 SDF SMILES Flexibase

55529342

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-bromo-4-ethoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	10.98	-9.64	1	5	0	45	494.433	7	↓ MOL2 SDF SMILES Flexibase

55529413

Analogs

9669109

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodo-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	11.15	-10.63	1	4	0	36	497.38	5	↓ MOL2 SDF SMILES Flexibase

55529436

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,3-dichloro-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	5.48	11.04	-13.38	1	4	0	36	440.374	5	↓ MOL2 SDF SMILES Flexibase

55529449

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dichloro-4-methoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	10.59	-9.17	1	5	0	45	470.4	6	↓ MOL2 SDF SMILES Flexibase

55529488

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-isopropyl-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	5.73	11.99	-10.02	1	4	0	36	413.565	6	↓ MOL2 SDF SMILES Flexibase

55529498

Analogs

60638590

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-nitro-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	10.76	-17.62	1	7	0	81	416.481	6	↓ MOL2 SDF SMILES Flexibase

55531347

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	10.07	-11.08	1	4	0	36	371.484	5	↓ MOL2 SDF SMILES Flexibase

55531353

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-ethoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	10.32	-10.65	1	5	0	45	415.537	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.72	10.21	-44.57	2	5	1	50	416.545	7	↓ MOL2 SDF SMILES Flexibase

55531375

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-bromo-4-methoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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	10.05	-9.87	1	5	0	45	480.406	6	↓ MOL2 SDF SMILES Flexibase

55531411

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-chloro-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	5.64	11.21	-9.12	1	4	0	36	484.825	5	↓ MOL2 SDF SMILES Flexibase

55531429

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	6.04	11.63	-9.39	1	5	0	45	470.4	6	↓ MOL2 SDF SMILES Flexibase

55533090

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4,5-triethoxy-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	4.98	12.01	-12.72	1	7	0	63	503.643	11	↓ MOL2 SDF SMILES Flexibase

55535423

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-fluoro-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	4.34	10.16	-15.08	1	4	0	36	389.474	5	↓ MOL2 SDF SMILES Flexibase

55535494

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-chloro-benzamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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)	4.87	10.58	-11.42	1	4	0	36	405.929	5	↓ MOL2 SDF SMILES Flexibase

55537535

Analogs

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Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2,4-dimethyl-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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)	5.68	11.89	-10.05	1	4	0	36	433.983	5	↓ MOL2 SDF SMILES Flexibase

55539406

Analogs

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Popular Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3,5-dimethyl-benzamide N-[4-[4-[(2-chlorophenyl)methyl]…

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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)	5.68	11.88	-11.02	1	4	0	36	433.983	5	↓ MOL2 SDF SMILES Flexibase

55545143

Analogs

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Popular Name: 3-chloro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-4-methyl-benzamide 3-chloro-N-[4-[4-[(2-fluoropheny…

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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	11.26	-10.27	1	4	0	36	437.946	5	↓ MOL2 SDF SMILES Flexibase

55545148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-4-methoxy-benzamide N-[4-[4-[(2-fluorophenyl)methyl]…

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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)	4.39	9.46	-12.46	1	5	0	45	419.5	6	↓ MOL2 SDF SMILES Flexibase

55545150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-iodo-benzamide N-[4-[4-[(2-fluorophenyl)methyl]…

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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	11.22	-11.35	1	4	0	36	515.37	5	↓ MOL2 SDF SMILES Flexibase

55545155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-methoxy-benzamide 5-chloro-N-[4-[4-[(2-fluoropheny…

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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	11.12	-13.11	1	5	0	45	453.945	6	↓ MOL2 SDF SMILES Flexibase

55545159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-3-isopropoxy-benzamide N-[4-[4-[(2-fluorophenyl)methyl]…

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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	11.02	-14.76	1	5	0	45	447.554	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 41859 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>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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