ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

6730208

Analogs

5392575

Draw Identity 99% 90% 80% 70%

Popular Name: (4-phenylsulfonylpiperazin-1-yl)-(4-tert-butylphenyl)-methanone (4-phenylsulfonylpiperazin-1-yl)…

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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)	3.41	-2.78	-13.53	0	5	0	57	386.517	4	↓ MOL2 SDF SMILES Flexibase

7723142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(difluoromethoxy)phenyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone [2-(difluoromethoxy)phenyl]-[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)	2.93	-1.93	-18.74	0	6	0	66	414.405	5	↓ MOL2 SDF SMILES Flexibase

7723147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methyl-phenyl)-methanone [4-(2-fluorophenyl)sulfonylpiper…

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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	-4.47	-15.26	1	6	0	77	378.425	3	↓ MOL2 SDF SMILES Flexibase

7723156

Analogs

31309451
6969003

Draw Identity 99% 90% 80% 70%

Popular Name: (3-ethoxy-4-methoxy-phenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone (3-ethoxy-4-methoxy-phenyl)-[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)	1.84	-3.01	-18.11	0	7	0	76	422.478	6	↓ MOL2 SDF SMILES Flexibase

7723165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]-methanone [4-(2-fluorophenyl)sulfonylpiper…

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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)	2.31	-3.37	-16.03	0	5	0	57	408.52	5	↓ MOL2 SDF SMILES Flexibase

7723176

Analogs

8062344
31309475

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-3-nitro-phenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone (4-amino-3-nitro-phenyl)-[4-(2-f…

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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)	1.19	-4.69	-21.16	2	9	0	129	408.411	4	↓ MOL2 SDF SMILES Flexibase

7723181

Analogs

25533835
6376045

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(difluoromethoxy)phenyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone [3-(difluoromethoxy)phenyl]-[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)	2.41	-2.38	-17.67	0	6	0	66	414.405	5	↓ MOL2 SDF SMILES Flexibase

7723183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonylbenzonitrile 4-[4-(2-fluorophenyl)sulfonylpip…

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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)	1.57	-2.01	-17.41	0	6	0	81	373.409	3	↓ MOL2 SDF SMILES Flexibase

7723184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(o-tolyl)methanone [4-(2-fluorophenyl)sulfonylpiper…

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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)	2.22	-3.03	-13.38	0	5	0	57	362.426	3	↓ MOL2 SDF SMILES Flexibase

7723185

Analogs

8062467

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-difluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone (2,6-difluorophenyl)-[4-(2-fluor…

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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)	2.05	6.22	-16.98	0	5	0	58	384.379	3	↓ MOL2 SDF SMILES Flexibase

7723187

Analogs

31309495

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethoxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone (4-ethoxyphenyl)-[4-(2-fluorophe…

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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)	2.25	-3.3	-15.02	0	6	0	66	392.452	5	↓ MOL2 SDF SMILES Flexibase

7723188

Analogs

31349363
31538767

Draw Identity 99% 90% 80% 70%

Popular Name: (2-ethoxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone (2-ethoxyphenyl)-[4-(2-fluorophe…

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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)	2.75	-2.83	-17.69	0	6	0	66	392.452	5	↓ MOL2 SDF SMILES Flexibase

7723190

Analogs

8062467
31349488
31543751

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-difluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone (2,4-difluorophenyl)-[4-(2-fluor…

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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	-1.92	-16.38	0	5	0	57	384.379	3	↓ MOL2 SDF SMILES Flexibase

7723197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-hydroxy-phenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone (5-chloro-2-hydroxy-phenyl)-[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)	2.96	-4.91	-13.88	1	6	0	77	398.843	3	↓ MOL2 SDF SMILES Flexibase

7723203

Analogs

8191872
31309395
6237336

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(m-tolyl)methanone [4-(2-fluorophenyl)sulfonylpiper…

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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)	2.24	-3.06	-15.31	0	5	0	57	362.426	3	↓ MOL2 SDF SMILES Flexibase

7723206

Analogs

31349352
31540541
6237324

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chloro-4-fluoro-phenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone (2-chloro-4-fluoro-phenyl)-[4-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	-2.74	-13.71	0	5	0	57	400.834	3	↓ MOL2 SDF SMILES Flexibase

7723210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonylphenyl]acetamide N-[3-[4-(2-fluorophenyl)sulfonyl…

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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)	1.01	-4.47	-25.5	1	7	0	86	405.451	4	↓ MOL2 SDF SMILES Flexibase

7723211

Analogs

30958335
31309495
6237321

Draw Identity 99% 90% 80% 70%

Popular Name: (4-butoxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-methanone (4-butoxyphenyl)-[4-(2-fluorophe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	-3.1	-14.74	0	6	0	66	420.506	7	↓ MOL2 SDF SMILES Flexibase

7723224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)-methanone [4-(3-chlorophenyl)sulfonylpiper…

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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)	2.42	-4.04	-13.84	0	6	0	66	394.88	4	↓ MOL2 SDF SMILES Flexibase

7723225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylphenyl)-methanone [4-(3-chlorophenyl)sulfonylpiper…

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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)	3.27	-3.6	-13.11	0	5	0	57	392.908	4	↓ MOL2 SDF SMILES Flexibase

7723226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-2-nitro-phenyl)-methanone [4-(3,4-dimethylphenyl)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)	2.84	-2.24	-23.19	0	8	0	103	417.487	4	↓ MOL2 SDF SMILES Flexibase

7723233

Analogs

25124951
6237074

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-nitrophenyl)-methanone [4-(3,4-dimethylphenyl)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)	2.49	-2.8	-16.21	0	8	0	103	403.46	4	↓ MOL2 SDF SMILES Flexibase

7723236

Analogs

31034218

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(o-tolyl)methanone [4-(3,4-dimethylphenyl)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)	2.93	-3.05	-13.47	0	5	0	57	372.49	3	↓ MOL2 SDF SMILES Flexibase

7723237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitro-phenyl)-methanone [4-(3,4-dimethylphenyl)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)	2.87	-2.59	-15.93	0	8	0	103	417.487	4	↓ MOL2 SDF SMILES Flexibase

7723238

Analogs

31034218

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethylphenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-methanone (2,3-dimethylphenyl)-[4-(3,4-dim…

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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	-2.87	-12.86	0	5	0	57	386.517	3	↓ MOL2 SDF SMILES Flexibase

10969433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[4-(4-bromobenzoyl)piperazin-1-yl]sulfonylphenyl]ethanone 1-[3-[4-(4-bromobenzoyl)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)	2.39	-4.2	-17.4	0	6	0	75	451.342	4	↓ MOL2 SDF SMILES Flexibase

10969463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone 1-[3-[4-[2-(trifluoromethyl)benz…

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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)	2.43	-1.59	-21.14	0	6	0	75	440.443	5	↓ MOL2 SDF SMILES Flexibase

10969647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[4-(2-chloro-4,5-difluoro-benzoyl)piperazin-1-yl]sulfonylphenyl]ethanone 1-[3-[4-(2-chloro-4,5-difluoro-b…

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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)	2.44	-2.26	-17.11	0	6	0	75	442.871	4	↓ MOL2 SDF SMILES Flexibase

46671515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-isopropyl-urea 1-[3-[4-(2,5-dimethylphenyl)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)	2.69	6.21	-24.32	2	8	0	99	458.584	5	↓ MOL2 SDF SMILES Flexibase

46671551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(diethylaminomethyl)phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone [4-(diethylaminomethyl)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)	2.40	9.41	-50.19	1	6	1	62	434.557	7	↓ MOL2 SDF SMILES Flexibase

18940598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chlorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (2-chlorophenyl)-[4-[4-(trifluor…

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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)	3.23	7.6	-15.69	0	5	0	58	432.851	4	↓ MOL2 SDF SMILES Flexibase

20002527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromo-4-methoxy-phenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (3-bromo-4-methoxy-phenyl)-[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)	2.56	5.38	-17.32	0	7	0	76	469.357	5	↓ MOL2 SDF SMILES Flexibase

20002644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromo-4-methoxy-phenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone (3-bromo-4-methoxy-phenyl)-[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)	2.93	6.38	-14.12	0	7	0	76	483.384	6	↓ MOL2 SDF SMILES Flexibase

20005218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromo-4-methoxy-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone (3-bromo-4-methoxy-phenyl)-[4-(p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	6.81	-13.57	0	6	0	67	453.358	4	↓ MOL2 SDF SMILES Flexibase

36329705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-yl]sulfonylbenzonitrile 2-[4-(5-bromo-2-hydroxy-benzoyl)…

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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)	2.69	3.93	-19.12	1	7	0	102	450.314	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	4.8	-55.64	0	7	-1	105	449.306	3	↓ MOL2 SDF SMILES Flexibase

22650520

Analogs

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Popular Name: [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,5-difluorophenyl)methanone [4-(2,6-dichlorophenyl)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)	3.22	7.46	-14.77	0	5	0	58	435.279	3	↓ MOL2 SDF SMILES Flexibase

22652504

Analogs

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Popular Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3,4-difluorophenyl)methanone [4-(4-tert-butylphenyl)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)	3.67	8.56	-15.17	0	5	0	58	422.497	4	↓ MOL2 SDF SMILES Flexibase

22652510

Analogs

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Popular Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,5-difluorophenyl)methanone [4-(4-tert-butylphenyl)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)	3.67	8.62	-14.37	0	5	0	58	422.497	4	↓ MOL2 SDF SMILES Flexibase

22685067

Analogs

16600360

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Popular Name: 2,2-dimethyl-N-[3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]propanamide 2,2-dimethyl-N-[3-[4-(2,4,6-trim…

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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)	3.76	9.01	-23.36	1	7	0	87	471.623	5	↓ MOL2 SDF SMILES Flexibase

22685086

Analogs

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Popular Name: 2,2-dimethyl-N-[3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]propanamide 2,2-dimethyl-N-[3-[4-[3-(trifluo…

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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)	3.43	8.05	-24.49	1	7	0	87	497.539	6	↓ MOL2 SDF SMILES Flexibase

36874477

Analogs

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Popular Name: (2-chloro-4-nitro-phenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (2-chloro-4-nitro-phenyl)-[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)	2.33	6.63	-17.21	0	9	0	113	439.877	5	↓ MOL2 SDF SMILES Flexibase

23038298

Analogs

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Popular Name: (3-bromo-2,5-dimethoxy-phenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (3-bromo-2,5-dimethoxy-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)	3.86	7.14	-15.48	0	7	0	76	497.411	5	↓ MOL2 SDF SMILES Flexibase

23040022

Analogs

30996357

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Popular Name: 3-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile 3-[4-(2-chlorophenyl)sulfonylpip…

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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)	2.07	6.58	-19.2	0	6	0	81	389.864	3	↓ MOL2 SDF SMILES Flexibase

23040035

Analogs

31487758
31487760
31487762
31487764

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Popular Name: N-[3-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2,2-dimethyl-propanamide N-[3-[4-(2-chlorophenyl)sulfonyl…

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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)	3.19	7.26	-25.97	1	7	0	87	463.987	5	↓ MOL2 SDF SMILES Flexibase

13408373

Analogs

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Popular Name: 3-nitro-5-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]benzoic 3-nitro-5-[4-(p-tolylsulfonyl)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)	1.95	7.07	-53.13	0	10	-1	144	432.434	5	↓ MOL2 SDF SMILES Flexibase

13408388

Analogs

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Popular Name: 3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoic 3-[4-(4-chlorophenyl)sulfonylpip…

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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)	2.18	6.93	-52.56	0	10	-1	144	452.852	5	↓ MOL2 SDF SMILES Flexibase

13408392

Analogs

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Popular Name: 4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzoic 4-[4-(4-chlorophenyl)sulfonylpip…

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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)	2.29	6.28	-54.63	0	7	-1	98	407.855	4	↓ MOL2 SDF SMILES Flexibase

13408547

Analogs

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Popular Name: 3-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoic 3-[4-(4-bromophenyl)sulfonylpipe…

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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)	2.31	7.03	-52.42	0	10	-1	144	497.303	5	↓ MOL2 SDF SMILES Flexibase

13408550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]benzoic 4-[4-(4-bromophenyl)sulfonylpipe…

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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)	2.42	6.39	-54.58	0	7	-1	98	452.306	4	↓ MOL2 SDF SMILES Flexibase

13408566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-5-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]benzoic 3-nitro-5-[4-(4-nitrophenyl)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)	1.46	7.08	-55.43	0	13	-1	189	463.404	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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