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ZINC Item

Suppliers, Protomers, & Similar Substances

10508385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chloro-2-nitro-phenyl)-4-(3,5-difluorophenyl)sulfonyl-piperazine 1-(4-chloro-2-nitro-phenyl)-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)	3.66	-1.86	-12.52	0	7	0	86	417.821	4	↓ MOL2 SDF SMILES Flexibase

10518065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-fluoro-phenyl]ethanone 1-[4-[4-(3,5-difluorophenyl)sulf…

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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)	3.08	7.63	-16.08	0	5	0	58	398.406	4	↓ MOL2 SDF SMILES Flexibase

10518305

Analogs

16737477

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-difluorophenyl)sulfonyl-4-(m-tolyl)piperazine 1-(3,5-difluorophenyl)sulfonyl-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)	3.52	-3.47	-7.95	0	4	0	40	352.406	3	↓ MOL2 SDF SMILES Flexibase

52949589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methyl-benzamide 4-[4-(4-methoxyphenyl)piperazin-…

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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)	2.09	4.1	-16.75	1	7	0	79	389.477	5	↓ MOL2 SDF SMILES Flexibase

52949815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methyl-benzamide 4-[4-(3-methoxyphenyl)piperazin-…

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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)	2.06	4.12	-16.85	1	7	0	79	389.477	5	↓ MOL2 SDF SMILES Flexibase

11804956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline 4-[4-(4-fluorophenyl)piperazin-1…

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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)	2.08	-6.57	-10.9	2	5	0	67	335.404	3	↓ MOL2 SDF SMILES Flexibase

11804957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylaniline 4-[4-(2-fluorophenyl)piperazin-1…

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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)	2.03	-6.8	-10.9	2	5	0	67	335.404	3	↓ MOL2 SDF SMILES Flexibase

11804960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylaniline 4-[4-(3-chlorophenyl)piperazin-1…

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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)	2.57	-7.45	-10.34	2	5	0	67	351.859	3	↓ MOL2 SDF SMILES Flexibase

11804965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylaniline 4-[4-(2,3-dimethylphenyl)piperaz…

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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)	2.72	-5.94	-9.44	2	5	0	67	345.468	3	↓ MOL2 SDF SMILES Flexibase

12042355

Analogs

27529500
33794415
34367892
6616148

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonyl]piperazine 1-(2,4-dimethylphenyl)-4-[(4-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)	4.11	-3.55	-8.47	0	4	0	41	344.48	3	↓ MOL2 SDF SMILES Flexibase

12042359

Analogs

16737446
276456

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzenesulfonyl)-4-(3,5-dimethylphenyl)piperazine 1-(benzenesulfonyl)-4-(3,5-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)	3.67	-4.63	-9.33	0	4	0	41	330.453	3	↓ MOL2 SDF SMILES Flexibase

12042362

Analogs

16737446
178624

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylphenyl)-4-(p-tolylsulfonyl)piperazine 1-(3,5-dimethylphenyl)-4-(p-toly…

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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	-4.29	-9.23	0	4	0	41	344.48	3	↓ MOL2 SDF SMILES Flexibase

36636293

Analogs

5394619

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine 1-(4-bromophenyl)sulfonyl-4-(2,6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	9.58	-7.58	0	4	0	41	409.349	3	↓ MOL2 SDF SMILES Flexibase

12538104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluoro-2-methyl-phenyl)sulfonyl-4-(4-nitrophenyl)piperazine 1-(4-fluoro-2-methyl-phenyl)sulf…

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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)	3.34	6.41	-14.48	0	7	0	86	379.413	4	↓ MOL2 SDF SMILES Flexibase

12539540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-methyl-phenyl)sulfonyl-4-(4-nitrophenyl)piperazine 1-(2-chloro-4-methyl-phenyl)sulf…

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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	6.92	-13.49	0	7	0	86	395.868	4	↓ MOL2 SDF SMILES Flexibase

12854386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methyl-benzamide 2-methoxy-5-[4-(4-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	3.51	-17.81	1	8	0	88	419.503	6	↓ MOL2 SDF SMILES Flexibase

12854756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]propanamide N-[5-[4-(5-chloro-2-methyl-pheny…

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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	6.45	-15.86	1	7	0	79	451.976	6	↓ MOL2 SDF SMILES Flexibase

13264805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-(4-phenylpiperazin-1-yl)sulfonyl-benzoic 4-bromo-3-(4-phenylpiperazin-1-y…

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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	5.35	-49.39	0	6	-1	81	424.296	4	↓ MOL2 SDF SMILES Flexibase

22761692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-prop-2-ynyl-benzamide 4-chloro-3-[4-(4-fluorophenyl)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)	2.96	5.33	-17.76	1	6	0	70	435.908	5	↓ MOL2 SDF SMILES Flexibase

13272589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(m-tolylsulfonyl)piperazin-1-yl]-3-nitro-benzoic 4-[4-(m-tolylsulfonyl)piperazin-…

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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)	3.06	7.64	-51.56	0	9	-1	127	404.424	5	↓ MOL2 SDF SMILES Flexibase

13272591

Analogs

13090873

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(diethylsulfamoyl)-2-[4-(m-tolylsulfonyl)piperazin-1-yl]benzoic 5-(diethylsulfamoyl)-2-[4-(m-tol…

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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)	3.35	6.65	-62.3	0	9	-1	118	494.615	8	↓ MOL2 SDF SMILES Flexibase

13272592

Analogs

13090873

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(dimethylsulfamoyl)-2-[4-(m-tolylsulfonyl)piperazin-1-yl]benzoic 5-(dimethylsulfamoyl)-2-[4-(m-to…

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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)	2.60	4.93	-62.38	0	9	-1	118	466.561	6	↓ MOL2 SDF SMILES Flexibase

13272593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[4-(m-tolylsulfonyl)piperazin-1-yl]-3-nitro-phenyl]prop-2-enoic (E)-3-[4-[4-(m-tolylsulfonyl)pip…

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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)	3.12	8.89	-54.76	0	9	-1	127	430.462	6	↓ MOL2 SDF SMILES Flexibase

13272594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(m-tolylsulfonyl)piperazin-1-yl]-2-nitro-benzoic 5-[4-(m-tolylsulfonyl)piperazin-…

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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)	3.24	6.81	-61.64	0	9	-1	127	404.424	5	↓ MOL2 SDF SMILES Flexibase

13272595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[4-(m-tolylsulfonyl)piperazin-1-yl]-3-nitro-benzoyl]amino]acetic 2-[[4-[4-(m-tolylsulfonyl)pipera…

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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)	0.68	6.25	-50.79	1	11	-1	156	461.476	7	↓ MOL2 SDF SMILES Flexibase

13272596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-[4-(m-tolylsulfonyl)piperazin-1-yl]-3-nitro-benzoyl]amino]propanoic (2S)-2-[[4-[4-(m-tolylsulfonyl)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)	0.46	7.11	-51.48	1	11	-1	156	475.503	7	↓ MOL2 SDF SMILES Flexibase

13272705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzoic 4-[4-(3,4-diethoxyphenyl)sulfony…

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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)	3.04	8.02	-53.87	0	11	-1	145	478.503	9	↓ MOL2 SDF SMILES Flexibase

13272707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-benzoic 5-[4-(3,4-diethoxyphenyl)sulfony…

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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)	3.22	7.19	-64.85	0	11	-1	145	478.503	9	↓ MOL2 SDF SMILES Flexibase

62569419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dichlorophenyl)sulfonyl-4-(4-methylsulfonyl-3-nitro-phenyl)piperazine 1-(2,5-dichlorophenyl)sulfonyl-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)	3.32	5.89	-19.03	0	9	0	121	494.378	5	↓ MOL2 SDF SMILES Flexibase

58316594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-fluoro-4-[4-(m-tolylsulfonyl)piperazin-1-yl]phenyl]ethanone 1-[3-fluoro-4-[4-(m-tolylsulfony…

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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)	3.25	8.14	-12.42	0	5	0	58	376.453	4	↓ MOL2 SDF SMILES Flexibase

58316598

Analogs

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Popular Name: 1-[3-fluoro-4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone 1-[3-fluoro-4-[4-(2-methoxypheny…

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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)	2.84	7.37	-19.39	0	6	0	67	392.452	5	↓ MOL2 SDF SMILES Flexibase

58572615

Analogs

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Popular Name: 1-(2-chloro-4-methyl-phenyl)sulfonyl-4-(2-chlorophenyl)piperazine 1-(2-chloro-4-methyl-phenyl)sulf…

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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)	4.52	8.36	-9.06	0	4	0	41	385.316	3	↓ MOL2 SDF SMILES Flexibase

948402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,3,5,6-tetramethylphenyl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine 1-[(2,3,5,6-tetramethylphenyl)su…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.29	-1.33	-9.7	0	4	0	40	426.504	4	↓ MOL2 SDF SMILES Flexibase

948472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine 1-(2-methoxyphenyl)-4-(2,3,5,6-t…

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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	-3.2	-9.35	0	5	0	49	388.533	4	↓ MOL2 SDF SMILES Flexibase

948496

Analogs

16737465

Draw Identity 99% 90% 80% 70%

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.42	-1.94	-9.78	0	4	0	40	426.504	5	↓ MOL2 SDF SMILES Flexibase

950255

Analogs

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Popular Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-(2-chlorophenyl)piperazine 1-(5-bromo-2-methoxy-phenyl)sulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	-5.37	-10.52	0	5	0	49	445.766	4	↓ MOL2 SDF SMILES Flexibase

950256

Analogs

16737454

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Popular Name: 4-bromo-2-{[4-(2,4-dimethylphenyl)-1-piperazinyl]sulfonyl}phenyl methyl ether 4-bromo-2-{[4-(2,4-dimethylpheny…

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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)	4.46	-4.1	-9.77	0	5	0	49	439.375	4	↓ MOL2 SDF SMILES Flexibase

950257

Analogs

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Popular Name: 1-(4-fluoro-3-methyl-phenyl)sulfonyl-4-(2-fluorophenyl)piperazine 1-(4-fluoro-3-methyl-phenyl)sulf…

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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	-3.72	-9.24	0	4	0	40	352.406	3	↓ MOL2 SDF SMILES Flexibase

950258

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-4-(4-iodophenyl)sulfonyl-piperazine 1-(3,4-dichlorophenyl)-4-(4-iodo…

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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	-6.37	-9.39	0	4	0	40	497.185	3	↓ MOL2 SDF SMILES Flexibase

950259

Analogs

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Popular Name:

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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)	4.93	-6.01	-7.86	0	4	0	40	450.185	3	↓ MOL2 SDF SMILES Flexibase

1132277

Analogs

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Popular Name: 1-(2,4-dichloro-3-methyl-phenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine 1-(2,4-dichloro-3-methyl-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)	5.30	-3.71	-7.09	0	4	0	40	413.37	3	↓ MOL2 SDF SMILES Flexibase

14254247

Analogs

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Popular Name: 1-[4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]phenyl]ethanone 1-[4-[4-(2,4-difluorophenyl)sulf…

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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)	2.99	5.77	-12.86	0	5	0	58	380.416	4	↓ MOL2 SDF SMILES Flexibase

14254252

Analogs

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Popular Name: 1-[4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]ethanone 1-[4-[4-(2-nitrophenyl)sulfonylp…

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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)	2.65	7.4	-26.94	0	8	0	104	389.433	5	↓ MOL2 SDF SMILES Flexibase

4171469

Analogs

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Popular Name: N,N-dimethyl-3-nitro-4-(4-phenylsulfonylpiperazin-1-yl)-aniline N,N-dimethyl-3-nitro-4-(4-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)	2.83	-3.14	-14.71	0	8	0	89	390.465	5	↓ MOL2 SDF SMILES Flexibase

16577148

Analogs

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Popular Name: N-[2-methoxy-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]propanamide N-[2-methoxy-5-(4-phenylpiperazi…

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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)	2.88	4.53	-16.5	1	7	0	79	403.504	6	↓ MOL2 SDF SMILES Flexibase

16577156

Analogs

21756507

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Popular Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]methanesulfonamide N-[4-[4-(3-chlorophenyl)piperazi…

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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)	2.73	2.62	-16.03	1	7	0	87	429.951	5	↓ MOL2 SDF SMILES Flexibase

16578288

Analogs

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Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]methanesulfonamide N-[4-[4-(2-fluorophenyl)piperazi…

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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)	2.19	2.11	-16.09	1	7	0	87	413.496	5	↓ MOL2 SDF SMILES Flexibase

16578331

Analogs

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Popular Name: 1-(5-ethyl-2-methoxy-phenyl)sulfonyl-4-(4-methoxyphenyl)piperazine 1-(5-ethyl-2-methoxy-phenyl)sulf…

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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)	3.80	5.91	-12.22	0	6	0	59	390.505	6	↓ MOL2 SDF SMILES Flexibase

16578512

Analogs

19909432
27822550

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Popular Name: 1-(3-methyl-4-propoxy-phenyl)sulfonyl-4-phenyl-piperazine 1-(3-methyl-4-propoxy-phenyl)sul…

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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	7.16	-9.25	0	5	0	50	374.506	6	↓ MOL2 SDF SMILES Flexibase

16578611

Analogs

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Popular Name: 1-(5-ethyl-2-methoxy-phenyl)sulfonyl-4-(4-fluorophenyl)piperazine 1-(5-ethyl-2-methoxy-phenyl)sulf…

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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	6.68	-11.45	0	5	0	50	378.469	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 9572
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 = 9572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=9572&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": "9572"        

    });
</script>

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