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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

22652025

Analogs

25766696
6286040

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]benzamide 3,4-difluoro-N-[4-methyl-3-(1-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)	3.68	6.94	-23.84	1	5	0	66	394.443	4	↓ MOL2 SDF SMILES Flexibase

13013034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,4,5-tetrafluoro-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]benzamide 2,3,4,5-tetrafluoro-N-[2-methoxy…

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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)	3.47	6.17	-17.45	1	6	0	76	446.422	5	↓ MOL2 SDF SMILES Flexibase

13253388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-5-[[3-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoic 3-nitro-5-[[3-(1-piperidylsulfon…

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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)	2.82	6.76	-51.3	1	10	-1	152	432.434	6	↓ MOL2 SDF SMILES Flexibase

13253390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoic 4-[[3-(1-piperidylsulfonyl)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)	2.94	6.15	-53.97	1	7	-1	107	387.437	5	↓ MOL2 SDF SMILES Flexibase

13255274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoic 3-[[2-methyl-5-(1-piperidylsulfo…

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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	7.67	-55.87	1	10	-1	152	446.461	6	↓ MOL2 SDF SMILES Flexibase

13255276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoic 4-[[2-methyl-5-(1-piperidylsulfo…

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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	7.02	-56.38	1	7	-1	107	401.464	5	↓ MOL2 SDF SMILES Flexibase

13256532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-methoxy-5-(1-piperidylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoic 3-[[2-methoxy-5-(1-piperidylsulf…

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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	6.19	-57.19	1	11	-1	162	462.46	7	↓ MOL2 SDF SMILES Flexibase

13256533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-methoxy-5-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoic 4-[[2-methoxy-5-(1-piperidylsulf…

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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	5.55	-57.38	1	8	-1	116	417.463	6	↓ MOL2 SDF SMILES Flexibase

13260115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-methoxy-3-(1-piperidylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoic 3-[[4-methoxy-3-(1-piperidylsulf…

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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	6.63	-63.27	1	11	-1	162	462.46	7	↓ MOL2 SDF SMILES Flexibase

13260116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-methoxy-3-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoic 4-[[4-methoxy-3-(1-piperidylsulf…

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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	5.98	-61.91	1	8	-1	116	417.463	6	↓ MOL2 SDF SMILES Flexibase

13411138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoic 3-[[2-isopropoxy-5-(1-piperidyls…

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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	7.77	-56.3	1	11	-1	162	490.514	8	↓ MOL2 SDF SMILES Flexibase

13411141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoic 4-[[2-isopropoxy-5-(1-piperidyls…

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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	7.13	-56.72	1	8	-1	116	445.517	7	↓ MOL2 SDF SMILES Flexibase

13411152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoic 3-[[2-ethoxy-5-(1-piperidylsulfo…

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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)	3.21	7.13	-56.67	1	11	-1	162	476.487	8	↓ MOL2 SDF SMILES Flexibase

13411155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoic 4-[[2-ethoxy-5-(1-piperidylsulfo…

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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	6.48	-57.03	1	8	-1	116	431.49	7	↓ MOL2 SDF SMILES Flexibase

13411297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-chloro-3-(1-piperidylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoic 3-[[4-chloro-3-(1-piperidylsulfo…

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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	6.94	-59.44	1	10	-1	152	466.879	6	↓ MOL2 SDF SMILES Flexibase

13411300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-chloro-3-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoic 4-[[4-chloro-3-(1-piperidylsulfo…

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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	6.3	-58.27	1	7	-1	107	421.882	5	↓ MOL2 SDF SMILES Flexibase

13683345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide 3,4,5-trimethoxy-N-[4-methoxy-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)	2.66	5.48	-23.36	1	9	0	103	464.54	8	↓ MOL2 SDF SMILES Flexibase

14578098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(difluoromethoxy)-3-methoxy-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide 4-(difluoromethoxy)-3-methoxy-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	5.84	-23.07	1	8	0	94	470.494	8	↓ MOL2 SDF SMILES Flexibase

14578108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(difluoromethoxy)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide 4-(difluoromethoxy)-N-[4-methoxy…

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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)	3.65	5.94	-21.78	1	7	0	85	440.468	7	↓ MOL2 SDF SMILES Flexibase

14578189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(difluoromethoxy)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide 2-(difluoromethoxy)-N-[4-methoxy…

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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	7.08	-24.38	1	7	0	85	440.468	7	↓ MOL2 SDF SMILES Flexibase

14578261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-dimethylamino-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-5-nitro-benzamide 2-dimethylamino-N-[4-methoxy-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)	3.02	7.65	-20.02	1	10	0	125	462.528	7	↓ MOL2 SDF SMILES Flexibase

14578300

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)	3.47	8.63	-22.17	1	11	0	148	491.522	9	↓ MOL2 SDF SMILES Flexibase

14578317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-nitro-benzamide 4-bromo-N-[4-methoxy-3-(1-piperi…

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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	7.47	-28.21	1	9	0	122	498.355	6	↓ MOL2 SDF SMILES Flexibase

14578339

Analogs

16702165

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropoxy-3-methoxy-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide 4-isopropoxy-3-methoxy-N-[4-meth…

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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)	3.42	7.14	-24.12	1	8	0	94	462.568	8	↓ MOL2 SDF SMILES Flexibase

14578364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide 2-bromo-N-[4-methoxy-3-(1-piperi…

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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	6.97	-22.57	1	6	0	76	453.358	5	↓ MOL2 SDF SMILES Flexibase

14578370

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethylamino-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-nitro-benzamide 4-ethylamino-N-[4-methoxy-3-(1-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)	3.15	6.83	-29.05	2	10	0	134	462.528	8	↓ MOL2 SDF SMILES Flexibase

14578372

Analogs

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Popular Name: 2-chloro-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-5-nitro-benzamide 2-chloro-N-[4-methoxy-3-(1-piper…

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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)	3.60	7.53	-20.02	1	9	0	122	453.904	6	↓ MOL2 SDF SMILES Flexibase

14578374

Analogs

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Popular Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(trifluoromethyl)benzamide N-[4-methoxy-3-(1-piperidylsulfo…

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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)	3.88	7.39	-26.52	1	6	0	76	442.459	6	↓ MOL2 SDF SMILES Flexibase

14578376

Analogs

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Popular Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-(trifluoromethyl)benzamide N-[4-methoxy-3-(1-piperidylsulfo…

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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)	3.91	7.36	-23.99	1	6	0	76	442.459	6	↓ MOL2 SDF SMILES Flexibase

14578399

Analogs

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Popular Name: 2-chloro-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-4-nitro-benzamide 2-chloro-N-[4-methoxy-3-(1-piper…

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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)	3.60	7.53	-24.28	1	9	0	122	453.904	6	↓ MOL2 SDF SMILES Flexibase

14578406

Analogs

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Popular Name: 5-bromo-2-chloro-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide 5-bromo-2-chloro-N-[4-methoxy-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)	4.45	7.48	-19.61	1	6	0	76	487.803	5	↓ MOL2 SDF SMILES Flexibase

14578421

Analogs

12568808

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Popular Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2,4-dimethyl-benzamide N-[4-methoxy-3-(1-piperidylsulfo…

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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	7.72	-13.17	1	6	0	76	402.516	5	↓ MOL2 SDF SMILES Flexibase

14578425

Analogs

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Popular Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-4-(trifluoromethoxy)benzamide N-[4-methoxy-3-(1-piperidylsulfo…

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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)	4.00	6.15	-19.33	1	7	0	85	458.458	7	↓ MOL2 SDF SMILES Flexibase

5200233

Analogs

6249408
6249414
6249431
7951579

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Popular Name: N-[2-diethylamino-5-(1-piperidylsulfonyl)phenyl]benzamide N-[2-diethylamino-5-(1-piperidyl…

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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)	3.83	-4.87	-15.42	1	6	0	69	415.559	7	↓ MOL2 SDF SMILES Flexibase

14798222

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)	3.71	6.54	-24.76	2	8	0	105	445.541	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 17858
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 = 17858 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=17858&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": "17858"        

    });
</script>

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