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ZINC Item

Suppliers, Protomers, & Similar Substances

6878754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-1-(2,5-dimethoxyphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide N-benzyl-1-(2,5-dimethoxyphenyl)…

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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	7.42	-19.19	0	7	0	76	432.542	7	↓ MOL2 SDF SMILES Flexibase

17970398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzenesulfonyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide 1-(benzenesulfonyl)-N-[(1R)-1-(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)	3.10	6.72	-16.89	1	6	0	76	402.516	6	↓ MOL2 SDF SMILES Flexibase

17970403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzenesulfonyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide 1-(benzenesulfonyl)-N-[(1S)-1-(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)	3.10	6.73	-16.86	1	6	0	76	402.516	6	↓ MOL2 SDF SMILES Flexibase

17970414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide N-[(1S)-1-(2-methoxyphenyl)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)	3.15	6.03	-17.57	1	7	0	85	432.542	7	↓ MOL2 SDF SMILES Flexibase

17970419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide N-[(1R)-1-(2-methoxyphenyl)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)	3.15	6.02	-17.42	1	7	0	85	432.542	7	↓ MOL2 SDF SMILES Flexibase

17972369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide 1-(2,5-difluorophenyl)sulfonyl-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)	3.46	9.27	-15.71	0	5	0	58	454.564	6	↓ MOL2 SDF SMILES Flexibase

22364367

Analogs

23547883
23547885

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	8.14	-23.94	1	7	0	93	434.489	7	↓ MOL2 SDF SMILES Flexibase

13008911

Analogs

26029360
26374552

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-piperidine-4-carboxamide 1-(benzenesulfonyl)-N-[(2-methox…

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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)	2.78	7.74	-14.85	0	6	0	67	402.516	6	↓ MOL2 SDF SMILES Flexibase

13009648

Analogs

8685612

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-1-(2-chloro-5-nitro-phenyl)sulfonyl-N-ethyl-piperidine-4-carboxamide N-benzyl-1-(2-chloro-5-nitro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	9.88	-16.57	0	8	0	104	465.959	7	↓ MOL2 SDF SMILES Flexibase

13256702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-chlorophenyl)propanoic (3S)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.88	7.77	-62.66	1	8	-1	124	491.973	8	↓ MOL2 SDF SMILES Flexibase

13256703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-chlorophenyl)propanoic (3R)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.88	7.74	-68.69	1	8	-1	124	491.973	8	↓ MOL2 SDF SMILES Flexibase

13256972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-chlorophenyl)propanoic (3S)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.90	7.75	-61.47	1	8	-1	124	491.973	8	↓ MOL2 SDF SMILES Flexibase

13256973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-chlorophenyl)propanoic (3R)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.90	7.83	-64.42	1	8	-1	124	491.973	8	↓ MOL2 SDF SMILES Flexibase

13257623

Analogs

13177037
13177039

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3S)-3-[[1-(4-tert-butylphenyl)s…

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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)	3.20	9.25	-58.23	1	7	-1	107	489.589	8	↓ MOL2 SDF SMILES Flexibase

13257624

Analogs

13177037
13177039

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3R)-3-[[1-(4-tert-butylphenyl)s…

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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)	3.20	9.23	-61.22	1	7	-1	107	489.589	8	↓ MOL2 SDF SMILES Flexibase

13257627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3S)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.36	7.29	-62.55	1	8	-1	124	475.518	8	↓ MOL2 SDF SMILES Flexibase

13257628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3R)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.36	7.28	-68.84	1	8	-1	124	475.518	8	↓ MOL2 SDF SMILES Flexibase

13257911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3S)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.39	7.3	-61.71	1	8	-1	124	475.518	8	↓ MOL2 SDF SMILES Flexibase

13257912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic (3R)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.39	7.31	-64.57	1	8	-1	124	475.518	8	↓ MOL2 SDF SMILES Flexibase

13258019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[1-(4-tert-butylphenyl)s…

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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)	3.48	9.84	-64.5	1	7	-1	107	485.626	8	↓ MOL2 SDF SMILES Flexibase

13258020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[1-(4-tert-butylphenyl)s…

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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)	3.48	9.89	-61.33	1	7	-1	107	485.626	8	↓ MOL2 SDF SMILES Flexibase

13258023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.65	7.93	-65.47	1	8	-1	124	471.555	8	↓ MOL2 SDF SMILES Flexibase

13258024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.65	7.91	-72.62	1	8	-1	124	471.555	8	↓ MOL2 SDF SMILES Flexibase

13258307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.67	7.96	-64.94	1	8	-1	124	471.555	8	↓ MOL2 SDF SMILES Flexibase

13258308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.67	7.9	-67.47	1	8	-1	124	471.555	8	↓ MOL2 SDF SMILES Flexibase

13258981

Analogs

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Popular Name: (3S)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-chlorophenyl)propanoic (3S)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.83	8.59	-70.33	1	8	-1	124	491.973	8	↓ MOL2 SDF SMILES Flexibase

13258982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-chlorophenyl)propanoic (3R)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.83	8.22	-55.1	1	8	-1	124	491.973	8	↓ MOL2 SDF SMILES Flexibase

13259251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-chlorophenyl)propanoic (3S)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.86	8.6	-67.53	1	8	-1	124	491.973	8	↓ MOL2 SDF SMILES Flexibase

13259252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-chlorophenyl)propanoic (3R)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.86	8.23	-57.76	1	8	-1	124	491.973	8	↓ MOL2 SDF SMILES Flexibase

22763489

Analogs

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Popular Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxa N-ethyl-N-[(3-fluoro-4-methoxy-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)	4.50	10.78	-17.09	0	6	0	67	476.614	7	↓ MOL2 SDF SMILES Flexibase

13427102

Analogs

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Popular Name: (3R)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoic (3R)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.26	6.53	-73.14	1	9	-1	133	487.554	9	↓ MOL2 SDF SMILES Flexibase

13427105

Analogs

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Popular Name: (3S)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoic (3S)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.26	6.57	-66.29	1	9	-1	133	487.554	9	↓ MOL2 SDF SMILES Flexibase

13427517

Analogs

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Popular Name: (3R)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoic (3R)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.28	6.61	-68.3	1	9	-1	133	487.554	9	↓ MOL2 SDF SMILES Flexibase

13427519

Analogs

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Popular Name: (3S)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoic (3S)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.28	6.56	-65.31	1	9	-1	133	487.554	9	↓ MOL2 SDF SMILES Flexibase

13427700

Analogs

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Popular Name: (3S)-3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[1-(4-tert-butylphenyl)s…

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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)	3.03	9.89	-55.11	1	7	-1	107	471.599	8	↓ MOL2 SDF SMILES Flexibase

13427701

Analogs

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Popular Name: (3R)-3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[1-(4-tert-butylphenyl)s…

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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)	3.03	9.97	-55.46	1	7	-1	107	471.599	8	↓ MOL2 SDF SMILES Flexibase

13427704

Analogs

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Popular Name: (3S)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.20	7.91	-62.98	1	8	-1	124	457.528	8	↓ MOL2 SDF SMILES Flexibase

13427705

Analogs

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Popular Name: (3R)-3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[1-(3-acetylphenyl)sulfo…

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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)	1.20	7.99	-63.54	1	8	-1	124	457.528	8	↓ MOL2 SDF SMILES Flexibase

13427808

Analogs

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Popular Name: (3S)-3-[[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[1-(5-tert-butyl-2-methy…

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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	10.24	-54.09	1	7	-1	107	485.626	8	↓ MOL2 SDF SMILES Flexibase

13427809

Analogs

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Popular Name: (3R)-3-[[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[1-(5-tert-butyl-2-methy…

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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	9.49	-60.31	1	7	-1	107	485.626	8	↓ MOL2 SDF SMILES Flexibase

13428012

Analogs

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Popular Name: (3S)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.23	7.33	-68.09	1	8	-1	124	457.528	8	↓ MOL2 SDF SMILES Flexibase

13428013

Analogs

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Popular Name: (3R)-3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[1-(4-acetylphenyl)sulfo…

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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)	1.23	8.05	-60.9	1	8	-1	124	457.528	8	↓ MOL2 SDF SMILES Flexibase

13428669

Analogs

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Popular Name: 3-[benzyl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic 3-[benzyl-[1-(2,4,6-trimethylphe…

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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	10.97	-47.69	0	7	-1	98	471.599	8	↓ MOL2 SDF SMILES Flexibase

13428670

Analogs

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Popular Name: 3-[benzyl-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoic 3-[benzyl-[1-(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)	2.74	9.49	-49.1	0	7	-1	98	443.545	8	↓ MOL2 SDF SMILES Flexibase

13428676

Analogs

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Popular Name: 3-[benzyl-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic 3-[benzyl-[1-(2-methyl-5-nitro-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)	2.63	10.01	-48.28	0	10	-1	144	488.542	9	↓ MOL2 SDF SMILES Flexibase

13428677

Analogs

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Popular Name: 3-[benzyl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic 3-[benzyl-[1-(2,3,5,6-tetramethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.87	11.17	-48.03	0	7	-1	98	485.626	8	↓ MOL2 SDF SMILES Flexibase

13428782

Analogs

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Popular Name: 3-[benzyl-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]propanoic 3-[benzyl-[1-[3-(trifluoromethyl…

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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)	3.16	10.04	-47.78	0	7	-1	98	497.515	9	↓ MOL2 SDF SMILES Flexibase

13428784

Analogs

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Popular Name: 3-[benzyl-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]propanoic 3-[benzyl-[1-[2-(trifluoromethyl…

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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)	3.14	10.04	-52.09	0	7	-1	98	497.515	9	↓ MOL2 SDF SMILES Flexibase

13428785

Analogs

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Popular Name: 3-[benzyl-[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic 3-[benzyl-[1-(2-fluorophenyl)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)	2.40	8.92	-49.53	0	7	-1	98	447.508	8	↓ MOL2 SDF SMILES Flexibase

13428786

Analogs

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Popular Name: 3-[benzyl-[1-(4-isopropylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic 3-[benzyl-[1-(4-isopropylphenyl)…

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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	10.95	-48.42	0	7	-1	98	471.599	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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