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

6728786

Analogs

7069510
7071412

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide N-(4-cyanophenyl)-1-(p-tolylsulf…

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)	3.03	-2.62	-19.61	1	6	0	90	383.473	4	↓ MOL2 SDF SMILES Flexibase

10516587

Analogs

23024771

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-difluorophenyl)sulfonyl-N-phenyl-piperidine-4-carboxamide 1-(3,5-difluorophenyl)sulfonyl-N…

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)	3.08	-2.87	-14.34	1	5	0	66	380.416	4	↓ MOL2 SDF SMILES Flexibase

10970197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)sulfonyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-piperidine-4-carboxamide 1-(3-acetylphenyl)sulfonyl-N-[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)	3.97	-1.53	-21.96	1	6	0	84	468.497	6	↓ MOL2 SDF SMILES Flexibase

18949459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzenesulfonyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide 1-(benzenesulfonyl)-N-[2-(2,2,2-…

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)	2.90	6.38	-15.28	2	7	0	96	469.485	7	↓ MOL2 SDF SMILES Flexibase

18949460

Analogs

23651625

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide 1-(4-methoxyphenyl)sulfonyl-N-[2…

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)	2.96	5.72	-15.98	2	8	0	105	499.511	8	↓ MOL2 SDF SMILES Flexibase

18949462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(p-tolylsulfonyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide 1-(p-tolylsulfonyl)-N-[2-(2,2,2-…

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)	3.35	7.1	-15.3	2	7	0	96	483.512	7	↓ MOL2 SDF SMILES Flexibase

20890506

Analogs

26359278

Draw Identity 99% 90% 80% 70%

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

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)	3.33	7.55	-17.92	0	5	0	58	394.443	4	↓ MOL2 SDF SMILES Flexibase

20900626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	4.89	9.89	-20.38	1	7	0	93	458.58	8	↓ MOL2 SDF SMILES Flexibase

12037763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide N-(4-methylsulfanylphenyl)-1-(2,…

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)	4.84	-2.91	-17.4	1	5	0	66	446.638	5	↓ MOL2 SDF SMILES Flexibase

12038057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide N-(4-methylsulfanylphenyl)-1-[3-…

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)	4.13	-2.49	-19.44	1	5	0	66	458.527	6	↓ MOL2 SDF SMILES Flexibase

12038061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide N-(4-methylsulfanylphenyl)-1-[2-…

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)	4.11	-1.78	-26.19	1	5	0	66	458.527	6	↓ MOL2 SDF SMILES Flexibase

12038071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(4-methylsulfanylphenyl)-piperidine-4-carboxamide 1-[4-chloro-3-(trifluoromethyl)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)	4.76	-2.78	-15.49	1	5	0	66	492.972	6	↓ MOL2 SDF SMILES Flexibase

12038082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(4-methylsulfanylphenyl)-piperidine-4-carboxamide 1-(2,6-dichlorophenyl)sulfonyl-N…

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)	4.52	-4.24	-18.64	1	5	0	66	459.42	5	↓ MOL2 SDF SMILES Flexibase

12038238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide N-(4-methylsulfanylphenyl)-1-(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)	4.97	-3.51	-17.96	1	5	0	66	446.638	6	↓ MOL2 SDF SMILES Flexibase

12038243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)sulfonyl-N-(4-methylsulfanylphenyl)-piperidine-4-carboxamide 1-(3-acetylphenyl)sulfonyl-N-(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)	3.14	-4.18	-24.9	1	6	0	84	432.567	6	↓ MOL2 SDF SMILES Flexibase

12038321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)sulfonyl-N-(4-methylsulfanylphenyl)-piperidine-4-carboxamide 1-(3,4-difluorophenyl)sulfonyl-N…

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	-3.19	-19.2	1	5	0	66	426.51	5	↓ MOL2 SDF SMILES Flexibase

22364202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.96	8.16	-23.78	1	7	0	93	456.442	6	↓ MOL2 SDF SMILES Flexibase

22364215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.87	8.1	-23.6	1	7	0	93	438.452	6	↓ MOL2 SDF SMILES Flexibase

22364258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	3.51	8.66	-21.92	1	7	0	93	499.358	6	↓ MOL2 SDF SMILES Flexibase

22364266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	3.38	8.63	-22.29	1	7	0	93	454.907	6	↓ MOL2 SDF SMILES Flexibase

22364350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	3.27	7.91	-32.66	1	8	0	102	466.943	7	↓ MOL2 SDF SMILES Flexibase

22696680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide N-(3-bromophenyl)-1-[2-(trifluor…

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)	4.46	8.24	-21.23	1	5	0	66	491.329	5	↓ MOL2 SDF SMILES Flexibase

13011866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide N-(3-acetylphenyl)-1-(2,4,6-trim…

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)	3.90	8.9	-24.48	1	6	0	84	428.554	5	↓ MOL2 SDF SMILES Flexibase

13258384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoyl]amino]acetic 2-[[4-[[1-(3-acetylphenyl)sulfon…

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)	0.23	4.94	-60.71	2	10	-1	153	486.526	8	↓ MOL2 SDF SMILES Flexibase

13258483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoyl]amino]acetic 2-[[4-[[1-(4-acetylphenyl)sulfon…

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)	0.25	4.97	-60.27	2	10	-1	153	486.526	8	↓ MOL2 SDF SMILES Flexibase

13258577

Analogs

13169913

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-benzoic 3-[[1-(4-tert-butylphenyl)sulfon…

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)	4.82	9.14	-71.28	1	7	-1	107	457.572	6	↓ MOL2 SDF SMILES Flexibase

13258580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-benzoic 3-[[1-(3-acetylphenyl)sulfonylpi…

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)	2.99	7.29	-77.77	1	8	-1	124	443.501	6	↓ MOL2 SDF SMILES Flexibase

13258630

Analogs

Draw Identity 99% 90% 80% 70%

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

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)	5.20	9.44	-69.92	1	7	-1	107	471.599	6	↓ MOL2 SDF SMILES Flexibase

13258733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-benzoic 3-[[1-(4-acetylphenyl)sulfonylpi…

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	7.3	-75.2	1	8	-1	124	443.501	6	↓ MOL2 SDF SMILES Flexibase

36876179

Analogs

7670135

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	3.15	8.73	-21.61	1	7	0	93	434.489	6	↓ MOL2 SDF SMILES Flexibase

13259453

Analogs

13094698

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 3-[[1-(4-tert-butylphenyl)sulfon…

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)	4.42	8.31	-70.72	1	7	-1	107	443.545	6	↓ MOL2 SDF SMILES Flexibase

13259456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 3-[[1-(3-acetylphenyl)sulfonylpi…

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)	2.59	6.45	-81.61	1	8	-1	124	429.474	6	↓ MOL2 SDF SMILES Flexibase

13259502

Analogs

Draw Identity 99% 90% 80% 70%

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

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)	4.80	8.6	-70.07	1	7	-1	107	457.572	6	↓ MOL2 SDF SMILES Flexibase

13259604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 3-[[1-(4-acetylphenyl)sulfonylpi…

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)	2.61	6.37	-75.57	1	8	-1	124	429.474	6	↓ MOL2 SDF SMILES Flexibase

13259670

Analogs

13166698

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 4-[[1-(4-tert-butylphenyl)sulfon…

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)	4.44	8.32	-65.28	1	7	-1	107	443.545	6	↓ MOL2 SDF SMILES Flexibase

13259674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 4-[[1-(3-acetylphenyl)sulfonylpi…

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)	2.61	6.38	-72.68	1	8	-1	124	429.474	6	↓ MOL2 SDF SMILES Flexibase

13259718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 4-[[1-(5-tert-butyl-2-methyl-phe…

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)	4.82	8.71	-67.04	1	7	-1	107	457.572	6	↓ MOL2 SDF SMILES Flexibase

13259822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 4-[[1-(4-acetylphenyl)sulfonylpi…

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)	2.64	6.4	-68.83	1	8	-1	124	429.474	6	↓ MOL2 SDF SMILES Flexibase

13260147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-5-chloro-benzoic 2-[[1-(4-tert-butylphenyl)sulfon…

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)	5.23	9.18	-48.36	1	7	-1	107	477.99	6	↓ MOL2 SDF SMILES Flexibase

13260149

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-5-chloro-benzoic 2-[[1-(3-acetylphenyl)sulfonylpi…

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)	3.40	7.23	-52.1	1	8	-1	124	463.919	6	↓ MOL2 SDF SMILES Flexibase

13260307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-5-chloro-benzoic 2-[[1-(4-acetylphenyl)sulfonylpi…

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)	3.42	7.25	-53.56	1	8	-1	124	463.919	6	↓ MOL2 SDF SMILES Flexibase

13260902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoic 2-[[1-(3-acetylphenyl)sulfonylpi…

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)	2.37	5.88	-56.36	1	10	-1	142	489.526	8	↓ MOL2 SDF SMILES Flexibase

13261051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoic 2-[[1-(4-acetylphenyl)sulfonylpi…

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)	2.39	5.98	-54.96	1	10	-1	142	489.526	8	↓ MOL2 SDF SMILES Flexibase

13261123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-5-chloro-2-methoxy-benzoic 4-[[1-(3-acetylphenyl)sulfonylpi…

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)	3.29	7.17	-67.21	1	9	-1	133	493.945	7	↓ MOL2 SDF SMILES Flexibase

13261264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-5-chloro-2-methoxy-benzoic 4-[[1-(4-acetylphenyl)sulfonylpi…

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)	3.31	7.11	-65.98	1	9	-1	133	493.945	7	↓ MOL2 SDF SMILES Flexibase

13261339

Analogs

13165947

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 2-[[1-(4-tert-butylphenyl)sulfon…

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)	4.58	8.6	-51.42	1	7	-1	107	443.545	6	↓ MOL2 SDF SMILES Flexibase

13261341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 2-[[1-(3-acetylphenyl)sulfonylpi…

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)	2.75	6.68	-57.51	1	8	-1	124	429.474	6	↓ MOL2 SDF SMILES Flexibase

13261386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 2-[[1-(5-tert-butyl-2-methyl-phe…

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)	4.95	8.97	-52.33	1	7	-1	107	457.572	6	↓ MOL2 SDF SMILES Flexibase

13261483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic 2-[[1-(4-acetylphenyl)sulfonylpi…

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)	2.77	6.66	-55.29	1	8	-1	124	429.474	6	↓ MOL2 SDF SMILES Flexibase

22753546

Analogs

30927132

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide N-[3-(difluoromethoxy)-4-methoxy…

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)	4.23	7.66	-20.17	1	7	0	85	482.549	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3831
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 = 3831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3831&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": "3831"        

    });
</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