ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

22999702

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	1.03	3.72	-51.32	3	6	1	80	326.442	5	↓ MOL2 SDF SMILES Flexibase

22999703

Analogs

44509047

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethoxy-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2,5-dimethoxy-N-[(1-methyl-4-pip…

Find On: PubMed — Wikipedia — Google

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)	1.85	4.01	-47.53	2	6	1	69	329.442	6	↓ MOL2 SDF SMILES Flexibase

22999704

Analogs

41684795
41684796
44503870
44503872
44503874

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	3.52	7.18	-43.04	2	4	1	51	325.498	5	↓ MOL2 SDF SMILES Flexibase

22999706

Analogs

41681716
41681717
41684795
41684796
41684852

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 4-ethyl-N-[(1-methyl-4-piperidyl…

Find On: PubMed — Wikipedia — Google

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)	2.72	6.28	-43.21	2	4	1	51	297.444	5	↓ MOL2 SDF SMILES Flexibase

22999707

Analogs

43956178
44503894
44515873
44516169

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	1.72	6.28	-45.83	2	7	1	96	314.387	5	↓ MOL2 SDF SMILES Flexibase

22999708

Analogs

44509139

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 3,4-dimethoxy-N-[(1-methyl-4-pip…

Find On: PubMed — Wikipedia — Google

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)	1.46	4.09	-47.26	2	6	1	69	329.442	6	↓ MOL2 SDF SMILES Flexibase

22999709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-difluoro-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2,5-difluoro-N-[(1-methyl-4-pipe…

Find On: PubMed — Wikipedia — Google

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)	2.06	4.68	-43.87	2	4	1	51	305.37	4	↓ MOL2 SDF SMILES Flexibase

22999710

Analogs

44503860
44503921
44516112
44516279

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.46	5.37	-43.29	2	4	1	51	303.835	4	↓ MOL2 SDF SMILES Flexibase

22999711

Analogs

41678810
41678837
44503925
44516128
44516140

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2-fluoro-N-[(1-methyl-4-piperidy…

Find On: PubMed — Wikipedia — Google

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)	1.92	4.61	-43.13	2	4	1	51	287.38	4	↓ MOL2 SDF SMILES Flexibase

22999712

Analogs

44503915
44503923
44515889
44516066
44516179

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2-chloro-N-[(1-methyl-4-piperidy…

Find On: PubMed — Wikipedia — Google

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)	2.44	4.9	-42.62	2	4	1	51	303.835	4	↓ MOL2 SDF SMILES Flexibase

22999713

Analogs

41684982
41684995
44509042
44509102
44509125

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.57	5.59	-42.27	2	4	1	51	348.286	4	↓ MOL2 SDF SMILES Flexibase

22999714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 4-fluoro-N-[(1-methyl-4-piperidy…

Find On: PubMed — Wikipedia — Google

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)	1.97	4.92	-44	2	4	1	51	287.38	4	↓ MOL2 SDF SMILES Flexibase

22999715

Analogs

44509045

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	3.76	7.83	-43.38	2	4	1	51	339.525	4	↓ MOL2 SDF SMILES Flexibase

22999716

Analogs

44503905

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	3.09	5.42	-43.03	2	4	1	51	338.28	4	↓ MOL2 SDF SMILES Flexibase

22999717

Analogs

44509045

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	3.39	7.12	-43.63	2	4	1	51	325.498	4	↓ MOL2 SDF SMILES Flexibase

22999718

Analogs

44503870
44503872
44503874
44503876
44509046

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	3.11	7.06	-43.19	2	4	1	51	311.471	6	↓ MOL2 SDF SMILES Flexibase

22999719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2,4,6-trimethyl-N-[(1-methyl-4-p…

Find On: PubMed — Wikipedia — Google

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)	3.01	6.79	-42.96	2	4	1	51	311.471	4	↓ MOL2 SDF SMILES Flexibase

22999720

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.58	5.41	-45.11	2	4	1	51	321.825	4	↓ MOL2 SDF SMILES Flexibase

22999722

Analogs

44516175

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	1.81	4.86	-43.47	2	4	1	51	269.39	4	↓ MOL2 SDF SMILES Flexibase

22999723

Analogs

41684979
41684993
44509043

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 4-bromo-N-[(1-methyl-4-piperidyl…

Find On: PubMed — Wikipedia — Google

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)	2.62	5.48	-43.58	2	4	1	51	348.286	4	↓ MOL2 SDF SMILES Flexibase

22999724

Analogs

44509032
44509046

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 4-methyl-N-[(1-methyl-4-piperidy…

Find On: PubMed — Wikipedia — Google

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)	2.26	5.52	-43.38	2	4	1	51	283.417	4	↓ MOL2 SDF SMILES Flexibase

22999725

Analogs

44503878

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 4-chloro-N-[(1-methyl-4-piperidy…

Find On: PubMed — Wikipedia — Google

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)	2.49	5.37	-43.58	2	4	1	51	303.835	4	↓ MOL2 SDF SMILES Flexibase

22999726

Analogs

34955756
38572974

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 4-methoxy-N-[(1-methyl-4-piperid…

Find On: PubMed — Wikipedia — Google

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)	1.87	4.17	-44.69	2	5	1	60	299.416	5	↓ MOL2 SDF SMILES Flexibase

22999727

Analogs

44503880
44516175

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methyl-4-piperidyl)methyl]-4-nitro-benzenesulfonamide N-[(1-methyl-4-piperidyl)methyl]…

Find On: PubMed — Wikipedia — Google

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)	1.77	5.52	-47.99	2	7	1	96	314.387	5	↓ MOL2 SDF SMILES Flexibase

22999728

Analogs

44509121
12441438

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.24	4.88	-44.7	2	5	1	60	313.443	5	↓ MOL2 SDF SMILES Flexibase

22999730

Analogs

44509031
44526172

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.23	5.52	-43.46	2	4	1	51	283.417	4	↓ MOL2 SDF SMILES Flexibase

22999731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 3,4-dimethyl-N-[(1-methyl-4-pipe…

Find On: PubMed — Wikipedia — Google

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)	2.63	6.19	-43.46	2	4	1	51	297.444	4	↓ MOL2 SDF SMILES Flexibase

22999732

Analogs

41675926
41675959

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2,4-dimethyl-N-[(1-methyl-4-pipe…

Find On: PubMed — Wikipedia — Google

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)	2.63	6.42	-43.98	2	4	1	51	297.444	4	↓ MOL2 SDF SMILES Flexibase

22999733

Analogs

44509045

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,5-trimethyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2,4,5-trimethyl-N-[(1-methyl-4-p…

Find On: PubMed — Wikipedia — Google

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)	3.01	6.96	-43.97	2	4	1	51	311.471	4	↓ MOL2 SDF SMILES Flexibase

22999734

Analogs

44509138

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-methyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2-methoxy-5-methyl-N-[(1-methyl-…

Find On: PubMed — Wikipedia — Google

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)	2.24	5.36	-45.49	2	5	1	60	313.443	5	↓ MOL2 SDF SMILES Flexibase

22999735

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	1.96	4.24	-47.25	2	5	1	60	317.406	5	↓ MOL2 SDF SMILES Flexibase

22999736

Analogs

34955756
44509120

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.24	5.08	-44.49	2	5	1	60	313.443	6	↓ MOL2 SDF SMILES Flexibase

22999737

Analogs

44509101
44509153
44516106
44516277

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	1.95	4.91	-43.81	2	4	1	51	287.38	4	↓ MOL2 SDF SMILES Flexibase

22999738

Analogs

44503886
44515869
44516163

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	1.74	5.52	-47.46	2	7	1	96	314.387	5	↓ MOL2 SDF SMILES Flexibase

22999739

Analogs

44503886
44515932
44516195

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1-methyl-4-piperidyl)methyl]-5-nitro-benzenesulfonamide 2-methyl-N-[(1-methyl-4-piperidy…

Find On: PubMed — Wikipedia — Google

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)	2.14	6.45	-50.6	2	7	1	96	328.414	5	↓ MOL2 SDF SMILES Flexibase

22999743

Analogs

44503919
44503925
44516128

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2,4-difluoro-N-[(1-methyl-4-pipe…

Find On: PubMed — Wikipedia — Google

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)	2.06	4.68	-42.56	2	4	1	51	305.37	4	↓ MOL2 SDF SMILES Flexibase

22999744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4,5-dimethyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2-methoxy-4,5-dimethyl-N-[(1-met…

Find On: PubMed — Wikipedia — Google

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)	2.62	6.03	-45.55	2	5	1	60	327.47	5	↓ MOL2 SDF SMILES Flexibase

22999745

Analogs

44503866
44509130

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethoxy-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2,4-dimethoxy-N-[(1-methyl-4-pip…

Find On: PubMed — Wikipedia — Google

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)	1.85	4.02	-45.83	2	6	1	69	329.442	6	↓ MOL2 SDF SMILES Flexibase

22999749

Analogs

44509045

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2,5-dimethyl-N-[(1-methyl-4-pipe…

Find On: PubMed — Wikipedia — Google

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)	2.63	6.32	-44.17	2	4	1	51	297.444	4	↓ MOL2 SDF SMILES Flexibase

22999750

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.35	5.82	-44.47	2	4	1	51	301.407	4	↓ MOL2 SDF SMILES Flexibase

22999751

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.35	5.57	-44.12	2	4	1	51	301.407	4	↓ MOL2 SDF SMILES Flexibase

22999753

Analogs

44503870
44503872
44503874
44503876
44509046

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	3.32	6.8	-43.06	2	4	1	51	311.471	5	↓ MOL2 SDF SMILES Flexibase

22999754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-5-methyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 2-ethoxy-5-methyl-N-[(1-methyl-4…

Find On: PubMed — Wikipedia — Google

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)	2.62	6.27	-45.71	2	5	1	60	327.47	6	↓ MOL2 SDF SMILES Flexibase

22999755

Analogs

44509055

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.62	5.81	-44.21	2	5	1	60	327.47	6	↓ MOL2 SDF SMILES Flexibase

22999756

Analogs

44509121
12441460

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3,5-dimethyl-N-[(1-methyl-4-piperidyl)methyl]benzenesulfonamide 4-methoxy-3,5-dimethyl-N-[(1-met…

Find On: PubMed — Wikipedia — Google

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)	2.62	5.66	-44.03	2	5	1	60	327.47	5	↓ MOL2 SDF SMILES Flexibase

22999757

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	1.87	4.51	-51.17	3	6	1	80	340.469	6	↓ MOL2 SDF SMILES Flexibase

22999758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[4-[(1-methyl-4-piperidyl)methylsulfamoyl]phenyl]propanamide 2-methyl-N-[4-[(1-methyl-4-piper…

Find On: PubMed — Wikipedia — Google

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)	2.11	5.19	-50.67	3	6	1	80	354.496	6	↓ MOL2 SDF SMILES Flexibase

22999759

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	2.42	5.28	-50.92	3	6	1	80	354.496	7	↓ MOL2 SDF SMILES Flexibase

22999760

Analogs

44516062

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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)	1.40	4.6	-51.25	3	6	1	80	340.469	5	↓ MOL2 SDF SMILES Flexibase

22999761

Analogs

37010939

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-methyl-4-[(1-methyl-4-piperidyl)methylsulfamoyl]phenyl]propanamide N-[3-methyl-4-[(1-methyl-4-piper…

Find On: PubMed — Wikipedia — Google

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)	2.24	5.43	-53.53	3	6	1	80	354.496	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 115185
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 = 115185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=115185&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": "115185"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations