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ZINC Item

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50660574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide 2-(methylamino)-N-(3-phenylpropy…

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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	5.34	-10.62	2	4	0	58	304.415	7	↓ MOL2 SDF SMILES Flexibase

23002772

Analogs

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Popular Name: N-[4-[3-(4-dimethylaminophenyl)propylsulfamoyl]phenyl]acetamide N-[4-[3-(4-dimethylaminophenyl)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)	2.65	5.55	-20.24	2	6	0	79	375.494	8	↓ MOL2 SDF SMILES Flexibase

23002774

Analogs

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Popular Name: 4-tert-butyl-N-[3-(4-dimethylaminophenyl)propyl]benzenesulfonamide 4-tert-butyl-N-[3-(4-dimethylami…

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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)	5.14	8.99	-11.28	1	4	0	49	374.55	8	↓ MOL2 SDF SMILES Flexibase

23002776

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-ethyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.35	8.09	-11.56	1	4	0	49	346.496	8	↓ MOL2 SDF SMILES Flexibase

23002778

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-nitro-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	7.97	-15.59	1	7	0	95	363.439	8	↓ MOL2 SDF SMILES Flexibase

23002779

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-3,4-dimethoxy-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.08	5.78	-14.32	1	6	0	68	378.494	9	↓ MOL2 SDF SMILES Flexibase

23002780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2,5-difluoro-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.69	6.37	-11.74	1	4	0	49	354.422	7	↓ MOL2 SDF SMILES Flexibase

23002782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[3-(4-dimethylaminophenyl)propyl]benzenesulfonamide 2-bromo-N-[3-(4-dimethylaminophe…

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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	7.28	-11.23	1	4	0	49	397.338	7	↓ MOL2 SDF SMILES Flexibase

23002783

Analogs

32209930

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-fluoro-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	6.6	-11.16	1	4	0	49	336.432	7	↓ MOL2 SDF SMILES Flexibase

23002784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2,3,4,5,6-pentamethyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	5.39	9.91	-11.16	1	4	0	49	388.577	7	↓ MOL2 SDF SMILES Flexibase

23002786

Analogs

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Popular Name: 2,5-dichloro-N-[3-(4-dimethylaminophenyl)propyl]benzenesulfonamide 2,5-dichloro-N-[3-(4-dimethylami…

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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)	4.71	7.1	-10.7	1	4	0	49	387.332	7	↓ MOL2 SDF SMILES Flexibase

23002788

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2,3,5,6-tetramethyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	5.01	8.95	-10.42	1	4	0	49	374.55	7	↓ MOL2 SDF SMILES Flexibase

23002789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-propyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.74	8.87	-11.48	1	4	0	49	360.523	9	↓ MOL2 SDF SMILES Flexibase

23002791

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2,4,6-trimethyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.63	8.71	-10.51	1	4	0	49	360.523	7	↓ MOL2 SDF SMILES Flexibase

23002792

Analogs

32199071

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	6.54	-11.76	1	4	0	49	318.442	7	↓ MOL2 SDF SMILES Flexibase

23002793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[3-(4-dimethylaminophenyl)propyl]benzenesulfonamide 4-bromo-N-[3-(4-dimethylaminophe…

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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	7.16	-10.82	1	4	0	49	397.338	7	↓ MOL2 SDF SMILES Flexibase

23002795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[3-(4-dimethylaminophenyl)propyl]benzenesulfonamide 4-chloro-N-[3-(4-dimethylaminoph…

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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	7.06	-10.85	1	4	0	49	352.887	7	↓ MOL2 SDF SMILES Flexibase

23002797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-methoxy-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	5.86	-12.31	1	5	0	59	348.468	8	↓ MOL2 SDF SMILES Flexibase

23002798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-nitro-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.39	7.21	-13.61	1	7	0	95	363.439	8	↓ MOL2 SDF SMILES Flexibase

23002799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-methoxy-3-methyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.86	6.69	-12.48	1	5	0	59	362.495	8	↓ MOL2 SDF SMILES Flexibase

23002800

Analogs

32199068

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-3-methyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.86	7.33	-11.89	1	4	0	49	332.469	7	↓ MOL2 SDF SMILES Flexibase

23002801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-3,4-dimethyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.26	7.97	-11.94	1	4	0	49	346.496	7	↓ MOL2 SDF SMILES Flexibase

23002802

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2,4,5-trimethyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.63	8.75	-12.36	1	4	0	49	360.523	7	↓ MOL2 SDF SMILES Flexibase

23002803

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-methoxy-5-methyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	7.15	-13.77	1	5	0	59	362.495	8	↓ MOL2 SDF SMILES Flexibase

23002804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-ethoxy-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.86	6.89	-12.31	1	5	0	59	362.495	9	↓ MOL2 SDF SMILES Flexibase

23002805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-3-fluoro-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	6.6	-12.12	1	4	0	49	336.432	7	↓ MOL2 SDF SMILES Flexibase

23002807

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-3-nitro-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.37	7.21	-15.32	1	7	0	95	363.439	8	↓ MOL2 SDF SMILES Flexibase

23002809

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-methyl-5-nitro-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.77	8.21	-16.82	1	7	0	95	377.466	8	↓ MOL2 SDF SMILES Flexibase

23002813

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2,4-difluoro-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.69	6.37	-10.75	1	4	0	49	354.422	7	↓ MOL2 SDF SMILES Flexibase

23002814

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2,4-dimethoxy-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	5.71	-13.7	1	6	0	68	378.494	9	↓ MOL2 SDF SMILES Flexibase

23002818

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2,5-dimethyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	8.08	-12.21	1	4	0	49	346.496	7	↓ MOL2 SDF SMILES Flexibase

23002819

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-fluoro-3-methyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	7.38	-11.37	1	4	0	49	350.459	7	↓ MOL2 SDF SMILES Flexibase

23002820

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-5-fluoro-2-methyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	7.44	-11.53	1	4	0	49	350.459	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.97	8.21	-82.95	2	4	0	51	351.467	7	↓ MOL2 SDF SMILES Flexibase

23002821

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-ethoxy-5-methyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	8.07	-13.51	1	5	0	59	376.522	9	↓ MOL2 SDF SMILES Flexibase

23002822

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-ethoxy-3-methyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	7.59	-12.19	1	5	0	59	376.522	9	↓ MOL2 SDF SMILES Flexibase

23002823

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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	7.44	-11.92	1	5	0	59	376.522	8	↓ MOL2 SDF SMILES Flexibase

23002824

Analogs

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Popular Name: N-[4-[3-(4-dimethylaminophenyl)propylsulfamoyl]phenyl]butanamide N-[4-[3-(4-dimethylaminophenyl)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)	4.05	7.11	-19.87	2	6	0	79	403.548	10	↓ MOL2 SDF SMILES Flexibase

23002825

Analogs

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Popular Name: N-[4-[3-(4-dimethylaminophenyl)propylsulfamoyl]-3-methyl-phenyl]acetamide N-[4-[3-(4-dimethylaminophenyl)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)	3.03	6.38	-20.19	2	6	0	79	389.521	8	↓ MOL2 SDF SMILES Flexibase

23002826

Analogs

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Popular Name: N-[4-[3-(4-dimethylaminophenyl)propylsulfamoyl]-3-methyl-phenyl]propanamide N-[4-[3-(4-dimethylaminophenyl)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)	3.86	7.23	-21.26	2	6	0	79	403.548	9	↓ MOL2 SDF SMILES Flexibase

23002829

Analogs

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Popular Name: 5-chloro-N-[3-(4-dimethylaminophenyl)propyl]-2-methyl-benzenesulfonamide 5-chloro-N-[3-(4-dimethylaminoph…

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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	8.06	-12.36	1	4	0	49	366.914	7	↓ MOL2 SDF SMILES Flexibase

23002831

Analogs

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Popular Name: 5-chloro-N-[3-(4-dimethylaminophenyl)propyl]-2-methoxy-benzenesulfonamide 5-chloro-N-[3-(4-dimethylaminoph…

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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)	4.09	6.89	-13.33	1	5	0	59	382.913	8	↓ MOL2 SDF SMILES Flexibase

23002832

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-propoxy-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.37	7.68	-12.01	1	5	0	59	376.522	10	↓ MOL2 SDF SMILES Flexibase

23002833

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-isobutoxy-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.61	8.39	-11.92	1	5	0	59	390.549	10	↓ MOL2 SDF SMILES Flexibase

23002835

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-3-methyl-4-propoxy-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.74	8.42	-11.92	1	5	0	59	390.549	10	↓ MOL2 SDF SMILES Flexibase

23002837

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.62	8.36	-11.7	1	5	0	59	390.549	9	↓ MOL2 SDF SMILES Flexibase

23002839

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-4-ethoxy-3-fluoro-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	3.96	6.97	-13.94	1	5	0	59	380.485	9	↓ MOL2 SDF SMILES Flexibase

23002840

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-5-ethyl-2-methoxy-benzenesulfonamide N-[3-(4-dimethylaminophenyl)prop…

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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)	4.33	7.91	-13.65	1	5	0	59	376.522	9	↓ MOL2 SDF SMILES Flexibase

13668765

Analogs

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Popular Name: 3-nitro-N-[3-(p-tolyl)propyl]benzenesulfonamide 3-nitro-N-[3-(p-tolyl)propyl]ben…

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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	7.42	-13.33	1	6	0	92	334.397	7	↓ MOL2 SDF SMILES Flexibase

13668770

Analogs

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Popular Name: 2,5-dichloro-N-[3-(p-tolyl)propyl]benzenesulfonamide 2,5-dichloro-N-[3-(p-tolyl)propy…

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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)	5.06	7.33	-9.05	1	3	0	46	358.29	6	↓ MOL2 SDF SMILES Flexibase

13668829

Analogs

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Popular Name: N-[3-(2-chlorophenyl)propyl]-2-methyl-5-nitro-benzenesulfonamide N-[3-(2-chlorophenyl)propyl]-2-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)	4.29	7.95	-13.57	1	6	0	92	368.842	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 14515
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 = 14515 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=14515&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": "14515"        

    });
</script>

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