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ZINC Item

Suppliers, Protomers, & Similar Substances

49404347

Analogs

39292631

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide N-[2-[(2R)-1-(p-tolylsulfonyl)-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)	3.56	5.65	-16.52	1	6	0	84	422.572	7	↓ MOL2 SDF SMILES Flexibase

49404350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide N-[2-[(2S)-1-(p-tolylsulfonyl)-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)	3.56	5.53	-15.8	1	6	0	84	422.572	7	↓ MOL2 SDF SMILES Flexibase

49404365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-methyl-N-[2-[(2S)-1-(p-tolylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	6.22	-15.64	1	6	0	84	436.599	7	↓ MOL2 SDF SMILES Flexibase

49404368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-methyl-N-[2-[(2R)-1-(p-tolylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	6.34	-16.25	1	6	0	84	436.599	7	↓ MOL2 SDF SMILES Flexibase

49404371

Analogs

41651134
41664396
41664452
36731642

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-methyl-N-[2-[(2R)-1-(p-tolylsu…

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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)	3.98	6.31	-16.47	1	6	0	84	436.599	7	↓ MOL2 SDF SMILES Flexibase

49404374

Analogs

41651134
41664396
41664452
36731642

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-methyl-N-[2-[(2S)-1-(p-tolylsu…

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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)	3.98	6.2	-15.77	1	6	0	84	436.599	7	↓ MOL2 SDF SMILES Flexibase

49404383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2-fluoro-N-[2-[(2R)-1-(p-tolylsu…

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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	5.48	-16.77	1	6	0	84	440.562	7	↓ MOL2 SDF SMILES Flexibase

49404386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2-fluoro-N-[2-[(2S)-1-(p-tolylsu…

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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	5.29	-16.32	1	6	0	84	440.562	7	↓ MOL2 SDF SMILES Flexibase

49404389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-fluoro-N-[2-[(2R)-1-(p-tolylsu…

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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)	3.72	5.72	-15.83	1	6	0	84	440.562	7	↓ MOL2 SDF SMILES Flexibase

49404391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-fluoro-N-[2-[(2S)-1-(p-tolylsu…

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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)	3.72	5.6	-15.31	1	6	0	84	440.562	7	↓ MOL2 SDF SMILES Flexibase

49404394

Analogs

36753750

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-fluoro-N-[2-[(2R)-1-(p-tolylsu…

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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)	3.70	5.72	-17.23	1	6	0	84	440.562	7	↓ MOL2 SDF SMILES Flexibase

49404397

Analogs

36753750

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-fluoro-N-[2-[(2S)-1-(p-tolylsu…

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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)	3.70	5.6	-16.35	1	6	0	84	440.562	7	↓ MOL2 SDF SMILES Flexibase

49404416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-ethyl-N-[2-[(2S)-1-(p-tolylsul…

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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)	4.47	6.99	-15.35	1	6	0	84	450.626	8	↓ MOL2 SDF SMILES Flexibase

49404419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-ethyl-N-[2-[(2R)-1-(p-tolylsul…

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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)	4.47	7.1	-15.96	1	6	0	84	450.626	8	↓ MOL2 SDF SMILES Flexibase

49404422

Analogs

41664396
41664452
36731642

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3,4-dimethyl-N-[2-[(2R)-1-(p-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)	4.38	6.85	-16.47	1	6	0	84	450.626	7	↓ MOL2 SDF SMILES Flexibase

49404425

Analogs

41664396
41664452
36731642

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3,4-dimethyl-N-[2-[(2S)-1-(p-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)	4.38	6.74	-15.83	1	6	0	84	450.626	7	↓ MOL2 SDF SMILES Flexibase

49404428

Analogs

36731631

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,4-dimethyl-N-[2-[(2R)-1-(p-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)	4.38	7.09	-14.48	1	6	0	84	450.626	7	↓ MOL2 SDF SMILES Flexibase

49404431

Analogs

36731631

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,4-dimethyl-N-[2-[(2S)-1-(p-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)	4.38	7.08	-15.92	1	6	0	84	450.626	7	↓ MOL2 SDF SMILES Flexibase

49404441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,5-dimethyl-N-[2-[(2R)-1-(p-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)	4.38	7.1	-14.48	1	6	0	84	450.626	7	↓ MOL2 SDF SMILES Flexibase

49404444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,5-dimethyl-N-[2-[(2S)-1-(p-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)	4.38	7.09	-15.94	1	6	0	84	450.626	7	↓ MOL2 SDF SMILES Flexibase

49404453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-methoxy-N-[2-[(2R)-1-(p-tolyls…

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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)	3.59	4.95	-18.11	1	7	0	93	452.598	8	↓ MOL2 SDF SMILES Flexibase

49404456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-methoxy-N-[2-[(2S)-1-(p-tolyls…

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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)	3.59	4.83	-17.22	1	7	0	93	452.598	8	↓ MOL2 SDF SMILES Flexibase

49404458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2-methoxy-N-[2-[(2R)-1-(p-tolyls…

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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	5.59	-18.45	1	7	0	93	452.598	8	↓ MOL2 SDF SMILES Flexibase

49404462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2-methoxy-N-[2-[(2S)-1-(p-tolyls…

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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	5.35	-18.17	1	7	0	93	452.598	8	↓ MOL2 SDF SMILES Flexibase

49404464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-methoxy-N-[2-[(2R)-1-(p-tolyls…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	4.95	-16.83	1	7	0	93	452.598	8	↓ MOL2 SDF SMILES Flexibase

49404467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-methoxy-N-[2-[(2S)-1-(p-tolyls…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	4.83	-16.17	1	7	0	93	452.598	8	↓ MOL2 SDF SMILES Flexibase

49404469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-methyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-fluoro-2-methyl-N-[2-[(2R)-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)	4.10	6.49	-13.91	1	6	0	84	454.589	7	↓ MOL2 SDF SMILES Flexibase

49404472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-methyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-fluoro-2-methyl-N-[2-[(2S)-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)	4.10	6.48	-15.16	1	6	0	84	454.589	7	↓ MOL2 SDF SMILES Flexibase

49404474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-methyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-fluoro-3-methyl-N-[2-[(2R)-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)	4.10	6.35	-15.8	1	6	0	84	454.589	7	↓ MOL2 SDF SMILES Flexibase

49404478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-methyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-fluoro-3-methyl-N-[2-[(2S)-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)	4.10	6.23	-15.12	1	6	0	84	454.589	7	↓ MOL2 SDF SMILES Flexibase

49404493

Analogs

4935730
4489170

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-chloro-N-[2-[(2R)-1-(p-tolylsu…

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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)	4.21	6.17	-16.66	1	6	0	84	457.017	7	↓ MOL2 SDF SMILES Flexibase

49404496

Analogs

4935730
4489170

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-chloro-N-[2-[(2S)-1-(p-tolylsu…

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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)	4.21	6.05	-15.87	1	6	0	84	457.017	7	↓ MOL2 SDF SMILES Flexibase

49404499

Analogs

36520861

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2-chloro-N-[2-[(2R)-1-(p-tolylsu…

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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)	4.19	5.85	-15.9	1	6	0	84	457.017	7	↓ MOL2 SDF SMILES Flexibase

49404501

Analogs

36520861

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2-chloro-N-[2-[(2S)-1-(p-tolylsu…

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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)	4.19	5.57	-15.55	1	6	0	84	457.017	7	↓ MOL2 SDF SMILES Flexibase

49404504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-chloro-N-[2-[(2R)-1-(p-tolylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	6.17	-15.57	1	6	0	84	457.017	7	↓ MOL2 SDF SMILES Flexibase

49404507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-chloro-N-[2-[(2S)-1-(p-tolylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	6.05	-14.92	1	6	0	84	457.017	7	↓ MOL2 SDF SMILES Flexibase

49404510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-difluoro-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,5-difluoro-N-[2-[(2R)-1-(p-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)	3.81	5.55	-16.19	1	6	0	84	458.552	7	↓ MOL2 SDF SMILES Flexibase

49404513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-difluoro-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,5-difluoro-N-[2-[(2S)-1-(p-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)	3.81	5.36	-15.64	1	6	0	84	458.552	7	↓ MOL2 SDF SMILES Flexibase

49404516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,6-difluoro-N-[2-[(2R)-1-(p-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)	3.79	5.94	-19.06	1	6	0	84	458.552	7	↓ MOL2 SDF SMILES Flexibase

49404519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,6-difluoro-N-[2-[(2S)-1-(p-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)	3.79	5.8	-18.34	1	6	0	84	458.552	7	↓ MOL2 SDF SMILES Flexibase

49404522

Analogs

33693358

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,4-difluoro-N-[2-[(2R)-1-(p-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)	3.81	5.55	-14.8	1	6	0	84	458.552	7	↓ MOL2 SDF SMILES Flexibase

49404524

Analogs

33693358

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,4-difluoro-N-[2-[(2S)-1-(p-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)	3.81	5.36	-14.36	1	6	0	84	458.552	7	↓ MOL2 SDF SMILES Flexibase

49404533

Analogs

6614942

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-acetyl-N-[2-[(2R)-1-(p-tolylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	6.06	-19.39	1	7	0	101	464.609	8	↓ MOL2 SDF SMILES Flexibase

49404536

Analogs

6614942

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-acetyl-N-[2-[(2S)-1-(p-tolylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	5.94	-19.03	1	7	0	101	464.609	8	↓ MOL2 SDF SMILES Flexibase

49404539

Analogs

36753618

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-acetyl-N-[2-[(2R)-1-(p-tolylsu…

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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	6.03	-23.36	1	7	0	101	464.609	8	↓ MOL2 SDF SMILES Flexibase

49404542

Analogs

36753618

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 3-acetyl-N-[2-[(2S)-1-(p-tolylsu…

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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	5.92	-22.27	1	7	0	101	464.609	8	↓ MOL2 SDF SMILES Flexibase

49404546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-propyl-N-[2-[(2S)-1-(p-tolylsu…

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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)	4.86	7.76	-15.19	1	6	0	84	464.653	9	↓ MOL2 SDF SMILES Flexibase

49404549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 4-propyl-N-[2-[(2R)-1-(p-tolylsu…

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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)	4.86	7.88	-15.77	1	6	0	84	464.653	9	↓ MOL2 SDF SMILES Flexibase

49404552

Analogs

36731631

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[2-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,4,6-trimethyl-N-[2-[(2R)-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)	4.76	7.73	-15.17	1	6	0	84	464.653	7	↓ MOL2 SDF SMILES Flexibase

49404555

Analogs

36731631

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzenesulfonamide 2,4,6-trimethyl-N-[2-[(2S)-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)	4.76	7.57	-14.63	1	6	0	84	464.653	7	↓ MOL2 SDF SMILES Flexibase

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