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ZINC Item

Suppliers, Protomers, & Similar Substances

22999930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-benzyl-4-piperidyl)methylsulfamoyl]phenyl]acetamide N-[4-[(1-benzyl-4-piperidyl)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)	2.43	7.18	-49.35	3	6	1	80	402.54	7	↓ MOL2 SDF SMILES Flexibase

22999931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2,5-dimethoxy-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.25	7.61	-51.34	2	6	1	69	405.54	8	↓ MOL2 SDF SMILES Flexibase

22999932

Analogs

43959602

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2-nitro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.12	9.89	-49.08	2	7	1	96	390.485	7	↓ MOL2 SDF SMILES Flexibase

22999933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-3-chloro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.86	8.97	-46.96	2	4	1	51	379.933	6	↓ MOL2 SDF SMILES Flexibase

22999934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2-fluoro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.32	8.22	-46.78	2	4	1	51	363.478	6	↓ MOL2 SDF SMILES Flexibase

22999935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2-bromo-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.97	9.19	-45.85	2	4	1	51	424.384	6	↓ MOL2 SDF SMILES Flexibase

22999936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2,4,6-trimethyl-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	4.41	10.39	-46.6	2	4	1	51	387.569	6	↓ MOL2 SDF SMILES Flexibase

22999937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-3-chloro-4-fluoro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.98	9.02	-48.8	2	4	1	51	397.923	6	↓ MOL2 SDF SMILES Flexibase

22999938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-4-bromo-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	4.02	9.08	-47.22	2	4	1	51	424.384	6	↓ MOL2 SDF SMILES Flexibase

22999939

Analogs

25558037

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-4-nitro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.17	9.12	-51.6	2	7	1	96	390.485	7	↓ MOL2 SDF SMILES Flexibase

22999941

Analogs

44526172

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-3-methyl-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.63	9.12	-47.16	2	4	1	51	359.515	6	↓ MOL2 SDF SMILES Flexibase

22999942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2,4-dimethyl-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	4.03	10.01	-47.97	2	4	1	51	373.542	6	↓ MOL2 SDF SMILES Flexibase

22999943

Analogs

38583534

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2,4,5-trimethyl-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	4.41	10.56	-47.75	2	4	1	51	387.569	6	↓ MOL2 SDF SMILES Flexibase

22999944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-4-ethoxy-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.64	8.69	-48.12	2	5	1	60	389.541	8	↓ MOL2 SDF SMILES Flexibase

22999945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-3-fluoro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.35	8.52	-47.53	2	4	1	51	363.478	6	↓ MOL2 SDF SMILES Flexibase

22999946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-3-nitro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.14	9.12	-51.24	2	7	1	96	390.485	7	↓ MOL2 SDF SMILES Flexibase

22999947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2-methyl-5-nitro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.54	10.05	-54.79	2	7	1	96	404.512	7	↓ MOL2 SDF SMILES Flexibase

22999948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2,4-difluoro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.46	8.29	-46.21	2	4	1	51	381.468	6	↓ MOL2 SDF SMILES Flexibase

22999949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-5-fluoro-2-methyl-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.75	9.45	-49.77	2	4	1	51	377.505	6	↓ MOL2 SDF SMILES Flexibase

22999950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-4-ethoxy-3-methyl-benzenesulfonamide N-[(1-benzyl-4-piperidyl)methyl]…

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Activity (Go SEA)

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)	4.02	9.41	-47.81	2	5	1	60	403.568	8	↓ MOL2 SDF SMILES Flexibase

22999951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	4.02	9.27	-47.5	2	5	1	60	403.568	7	↓ MOL2 SDF SMILES Flexibase

22999952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-benzyl-4-piperidyl)methylsulfamoyl]phenyl]propanamide N-[4-[(1-benzyl-4-piperidyl)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)	3.27	8.12	-54.84	3	6	1	80	416.567	8	↓ MOL2 SDF SMILES Flexibase

22999953

Analogs

39750723

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-benzyl-4-piperidyl)methylsulfamoyl]phenyl]-2-methyl-propanamide N-[4-[(1-benzyl-4-piperidyl)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)	3.51	8.79	-54.42	3	6	1	80	430.594	8	↓ MOL2 SDF SMILES Flexibase

22999954

Analogs

39750723

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-benzyl-4-piperidyl)methylsulfamoyl]phenyl]butanamide N-[4-[(1-benzyl-4-piperidyl)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)	3.82	8.88	-54.63	3	6	1	80	430.594	9	↓ MOL2 SDF SMILES Flexibase

22999955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-benzyl-4-piperidyl)methylsulfamoyl]-3-methyl-phenyl]acetamide N-[4-[(1-benzyl-4-piperidyl)meth…

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Activity (Go SEA)

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)	2.80	8.2	-57.9	3	6	1	80	416.567	7	↓ MOL2 SDF SMILES Flexibase

22999958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-5-chloro-2-methyl-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	4.26	9.9	-49.03	2	4	1	51	393.96	6	↓ MOL2 SDF SMILES Flexibase

22999959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-4-propoxy-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	4.14	9.49	-47.8	2	5	1	60	403.568	9	↓ MOL2 SDF SMILES Flexibase

22999960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	4.39	10.16	-47.24	2	5	1	60	417.595	8	↓ MOL2 SDF SMILES Flexibase

22999961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-5-ethyl-2-methoxy-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	4.11	9.72	-49.12	2	5	1	60	403.568	8	↓ MOL2 SDF SMILES Flexibase

49509424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-3,4-difluoro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.46	8.4	-47.95	2	4	1	51	381.468	6	↓ MOL2 SDF SMILES Flexibase

49509426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-3,5-difluoro-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.46	8.42	-45.61	2	4	1	51	381.468	6	↓ MOL2 SDF SMILES Flexibase

49523456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]-4-propyl-benzenesulfonamide N-[[1-[(2-methylsulfanylphenyl)m…

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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)	4.90	11.49	-41.09	2	4	1	51	433.663	9	↓ MOL2 SDF SMILES Flexibase

49523457

Analogs

43959501

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 2,4,6-trimethyl-N-[[1-[(2-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)	4.80	11.42	-41.17	2	4	1	51	433.663	7	↓ MOL2 SDF SMILES Flexibase

49523458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,5-trimethyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 2,4,5-trimethyl-N-[[1-[(2-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)	4.80	11.32	-42.98	2	4	1	51	433.663	7	↓ MOL2 SDF SMILES Flexibase

49523459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 4-isopropyl-N-[[1-[(2-methylsulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.11	11.2	-41.12	2	4	1	51	433.663	8	↓ MOL2 SDF SMILES Flexibase

49523460

Analogs

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Popular Name: 3-chloro-4-methyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 3-chloro-4-methyl-N-[[1-[(2-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)	4.65	10.38	-41.82	2	4	1	51	440.054	7	↓ MOL2 SDF SMILES Flexibase

49523461

Analogs

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Popular Name: 5-chloro-2-methyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 5-chloro-2-methyl-N-[[1-[(2-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)	4.65	10.69	-42.9	2	4	1	51	440.054	7	↓ MOL2 SDF SMILES Flexibase

49523465

Analogs

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Popular Name: 4-tert-butyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 4-tert-butyl-N-[[1-[(2-methylsul…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.30	11.6	-41.33	2	4	1	51	447.69	8	↓ MOL2 SDF SMILES Flexibase

49523466

Analogs

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Popular Name: 2,3,5,6-tetramethyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 2,3,5,6-tetramethyl-N-[[1-[(2-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.17	11.87	-41.54	2	4	1	51	447.69	7	↓ MOL2 SDF SMILES Flexibase

49523467

Analogs

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Popular Name: N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]-4-(trifluoromethyl)benzenesulfonamide N-[[1-[(2-methylsulfanylphenyl)m…

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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)	4.49	10.27	-42.88	2	4	1	51	459.579	8	↓ MOL2 SDF SMILES Flexibase

49523468

Analogs

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Popular Name: N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]-3-(trifluoromethyl)benzenesulfonamide N-[[1-[(2-methylsulfanylphenyl)m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.46	10.29	-43.25	2	4	1	51	459.579	8	↓ MOL2 SDF SMILES Flexibase

49523469

Analogs

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Popular Name: 2,5-dichloro-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 2,5-dichloro-N-[[1-[(2-methylsul…

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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)	4.88	9.85	-41.4	2	4	1	51	460.472	7	↓ MOL2 SDF SMILES Flexibase

49523470

Analogs

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Popular Name: 2,3,4,5,6-pentamethyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 2,3,4,5,6-pentamethyl-N-[[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)	5.55	12.28	-41.65	2	4	1	51	461.717	7	↓ MOL2 SDF SMILES Flexibase

49523471

Analogs

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Popular Name: 4-isobutoxy-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 4-isobutoxy-N-[[1-[(2-methylsulf…

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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)	4.77	10.99	-42.07	2	5	1	60	463.689	10	↓ MOL2 SDF SMILES Flexibase

49523472

Analogs

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Popular Name: 3-methyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]-4-propoxy-benzenesulfonamide 3-methyl-N-[[1-[(2-methylsulfany…

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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)	4.91	11.04	-41.95	2	5	1	60	463.689	10	↓ MOL2 SDF SMILES Flexibase

49523473

Analogs

43959646

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Popular Name: 4-ethoxy-3,5-dimethyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 4-ethoxy-3,5-dimethyl-N-[[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)	4.78	11.02	-42.88	2	5	1	60	463.689	9	↓ MOL2 SDF SMILES Flexibase

49523474

Analogs

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Popular Name: 2,4-dichloro-5-methyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]benzenesulfonamide 2,4-dichloro-5-methyl-N-[[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)	5.25	10.42	-40.37	2	4	1	51	474.499	7	↓ MOL2 SDF SMILES Flexibase

49523475

Analogs

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Popular Name: N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide N-[[1-[(2-methylsulfanylphenyl)m…

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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)	4.56	9.06	-42.28	2	5	1	60	475.578	9	↓ MOL2 SDF SMILES Flexibase

38583511

Analogs

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Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-3-methoxy-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.24	7.58	-46	2	5	1	60	375.514	7	↓ MOL2 SDF SMILES Flexibase

38583512

Analogs

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Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-2-methoxy-benzenesulfonamide N-[(1-benzyl-4-piperidyl)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)	3.22	8.08	-46.82	2	5	1	60	375.514	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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