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

67245822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(4-isopropylphenyl)-2-[2-oxo-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)	2.81	8.49	-26.92	1	7	0	88	417.531	6	↓ MOL2 SDF SMILES Flexibase

67245824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(2-chloro-4-fluoro-phenyl)-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)	2.07	7.28	-25.54	1	7	0	88	427.885	5	↓ MOL2 SDF SMILES Flexibase

67245826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(5-chloro-2-methyl-phenyl)-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)	2.36	8	-29.91	1	7	0	88	423.922	5	↓ MOL2 SDF SMILES Flexibase

67245827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3-chloro-4-methoxy-phenyl)-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)	1.96	6.43	-28.29	1	8	0	98	439.921	6	↓ MOL2 SDF SMILES Flexibase

49408998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]-N-(2,4,6-trimethylphenyl)acetamide 2-[2-oxo-3-(1-piperidylsulfonyl)…

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)	1.57	8.87	-27.24	1	7	0	88	417.531	5	↓ MOL2 SDF SMILES Flexibase

49409001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(4-ethylphenyl)-2-[2-oxo-3-(1-…

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)	2.22	8.02	-27.12	1	7	0	88	403.504	6	↓ MOL2 SDF SMILES Flexibase

49409004

Analogs

6540150

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3,4-dimethoxyphenyl)-2-[2-oxo…

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)	0.95	5.79	-30.57	1	9	0	107	435.502	7	↓ MOL2 SDF SMILES Flexibase

49409007

Analogs

6540150

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3,5-dimethoxyphenyl)-2-[2-oxo…

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)	1.34	5.18	-30.08	1	9	0	107	435.502	7	↓ MOL2 SDF SMILES Flexibase

49409010

Analogs

6540305

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(2-ethoxyphenyl)-2-[2-oxo-3-(1…

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)	1.69	6.94	-26.78	1	8	0	98	419.503	7	↓ MOL2 SDF SMILES Flexibase

49409013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methylsulfanylphenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3-methylsulfanylphenyl)-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)	1.71	7.6	-27.52	1	7	0	88	421.544	6	↓ MOL2 SDF SMILES Flexibase

49409016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylphenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(4-acetylphenyl)-2-[2-oxo-3-(1…

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)	1.20	7.07	-30.8	1	8	0	106	417.487	6	↓ MOL2 SDF SMILES Flexibase

49409018

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)	1.47	7.24	-30.37	1	9	0	115	433.486	7	↓ MOL2 SDF SMILES Flexibase

49409022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-N-methyl-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(4-fluorophenyl)-N-methyl-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)	1.71	8.33	-28.53	0	7	0	80	407.467	5	↓ MOL2 SDF SMILES Flexibase

49409025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(2-fluorophenyl)-2-[2-oxo-3-(1…

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)	1.42	6.69	-26.13	1	7	0	88	393.44	5	↓ MOL2 SDF SMILES Flexibase

49409027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(2-chlorophenyl)-2-[2-oxo-3-(1…

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)	1.93	7.19	-25.44	1	7	0	88	409.895	5	↓ MOL2 SDF SMILES Flexibase

49409030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3-chlorophenyl)-2-[2-oxo-3-(1…

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	7.1	-26.59	1	7	0	88	409.895	5	↓ MOL2 SDF SMILES Flexibase

49409033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(4-chlorophenyl)-2-[2-oxo-3-(1…

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)	1.98	7.1	-27.57	1	7	0	88	409.895	5	↓ MOL2 SDF SMILES Flexibase

49409036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3,4-dichlorophenyl)-2-[2-oxo-…

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	7.55	-29.11	1	7	0	88	444.34	5	↓ MOL2 SDF SMILES Flexibase

49409039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3-chloro-4-fluoro-phenyl)-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)	2.07	7.15	-29.91	1	7	0	88	427.885	5	↓ MOL2 SDF SMILES Flexibase

49409042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(4-chloro-2-fluoro-phenyl)-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)	2.07	7.21	-25.57	1	7	0	88	427.885	5	↓ MOL2 SDF SMILES Flexibase

49409045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]-N-[2-(trifluoromethyl)phenyl]acetamide 2-[2-oxo-3-(1-piperidylsulfonyl)…

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)	2.15	7.83	-25.62	1	7	0	88	443.447	6	↓ MOL2 SDF SMILES Flexibase

49409048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[2-oxo-3-(1-piperidylsulfonyl)…

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)	2.17	7.59	-29.33	1	7	0	88	443.447	6	↓ MOL2 SDF SMILES Flexibase

49409052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3-fluoro-4-methyl-phenyl)-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)	1.84	7.29	-27.15	1	7	0	88	407.467	5	↓ MOL2 SDF SMILES Flexibase

49409055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(4-fluoro-2-methyl-phenyl)-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)	1.84	7.54	-28.39	1	7	0	88	407.467	5	↓ MOL2 SDF SMILES Flexibase

49409058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3-chloro-2-methyl-phenyl)-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)	2.33	7.86	-26.47	1	7	0	88	423.922	5	↓ MOL2 SDF SMILES Flexibase

49409061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[2-oxo-3-(1-piperidylsulfonyl)-1-pyridyl]acetamide N-(3-chloro-4-methyl-phenyl)-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)	2.36	7.68	-26.64	1	7	0	88	423.922	5	↓ MOL2 SDF SMILES Flexibase

49409077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]-N-(m-tolyl)acetamide 2-[3-[(4-methyl-1-piperidyl)sulf…

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	7.89	-27.75	1	7	0	88	403.504	5	↓ MOL2 SDF SMILES Flexibase

49409079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]-N-(2,4,6-trimethylphenyl)acetamide 2-[3-[(4-methyl-1-piperidyl)sulf…

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	9.5	-27.76	1	7	0	88	431.558	5	↓ MOL2 SDF SMILES Flexibase

49409081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(2-ethylphenyl)-2-[3-[(4-methy…

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)	2.41	8.89	-27.98	1	7	0	88	417.531	6	↓ MOL2 SDF SMILES Flexibase

49409083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]-N-phenyl-acetamide N-ethyl-2-[3-[(4-methyl-1-piperi…

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)	2.16	9.73	-27.35	0	7	0	80	417.531	6	↓ MOL2 SDF SMILES Flexibase

49409085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(2,3-dimethylphenyl)-2-[3-[(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)	2.34	8.62	-27.9	1	7	0	88	417.531	5	↓ MOL2 SDF SMILES Flexibase

49409087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(2,4-dimethylphenyl)-2-[3-[(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)	2.37	8.78	-28.76	1	7	0	88	417.531	5	↓ MOL2 SDF SMILES Flexibase

49409089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dimethylphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(2,6-dimethylphenyl)-2-[3-[(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)	1.41	9.08	-28.13	1	7	0	88	417.531	5	↓ MOL2 SDF SMILES Flexibase

49409090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(2-methoxyphenyl)-2-[3-[(4-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)	1.55	6.62	-24.14	1	8	0	98	419.503	6	↓ MOL2 SDF SMILES Flexibase

49409093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(3-methoxyphenyl)-2-[3-[(4-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)	1.57	6.51	-28.59	1	8	0	98	419.503	6	↓ MOL2 SDF SMILES Flexibase

49409095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(4-methoxyphenyl)-2-[3-[(4-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)	1.60	6.5	-25.96	1	8	0	98	419.503	6	↓ MOL2 SDF SMILES Flexibase

49409097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(3,4-dimethoxyphenyl)-2-[3-[(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)	1.19	6.41	-27.88	1	9	0	107	449.529	7	↓ MOL2 SDF SMILES Flexibase

49409099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(3,5-dimethoxyphenyl)-2-[3-[(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)	1.58	5.81	-27.95	1	9	0	107	449.529	7	↓ MOL2 SDF SMILES Flexibase

49409102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(2-ethoxyphenyl)-2-[3-[(4-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)	1.93	7.58	-27.26	1	8	0	98	433.53	7	↓ MOL2 SDF SMILES Flexibase

49409104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]-N-(m-tolyl)acetamide N-methyl-2-[3-[(4-methyl-1-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)	2.21	9.57	-29.03	0	7	0	80	417.531	5	↓ MOL2 SDF SMILES Flexibase

49409106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(4-dimethylaminophenyl)-2-[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)	1.64	7.63	-25.94	1	8	0	92	432.546	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.64	8.38	-94.07	2	8	0	93	433.554	6	↓ MOL2 SDF SMILES Flexibase

49409108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(2-methoxy-5-methyl-phenyl)-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)	1.98	7.32	-27.67	1	8	0	98	433.53	6	↓ MOL2 SDF SMILES Flexibase

49409110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(3-acetylphenyl)-2-[3-[(4-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)	1.42	7.6	-34.48	1	8	0	106	431.514	6	↓ MOL2 SDF SMILES Flexibase

49409112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylphenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(4-acetylphenyl)-2-[3-[(4-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)	1.44	7.61	-27.49	1	8	0	106	431.514	6	↓ MOL2 SDF SMILES Flexibase

49409114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanophenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(2-cyanophenyl)-2-[3-[(4-methy…

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)	1.25	7.64	-25.74	1	8	0	112	414.487	5	↓ MOL2 SDF SMILES Flexibase

49409122

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)	1.85	8.15	-25.02	1	9	0	115	447.513	7	↓ MOL2 SDF SMILES Flexibase

49409124

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)	1.71	7.87	-29.8	1	9	0	115	447.513	7	↓ MOL2 SDF SMILES Flexibase

49409125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(4-fluorophenyl)-N-methyl-2-[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)	1.95	8.95	-25.61	0	7	0	80	421.494	5	↓ MOL2 SDF SMILES Flexibase

49409127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(2-fluorophenyl)-2-[3-[(4-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)	1.66	7.31	-23.08	1	7	0	88	407.467	5	↓ MOL2 SDF SMILES Flexibase

49409130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[3-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-1-pyridyl]acetamide N-(4-fluorophenyl)-2-[3-[(4-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)	1.71	7.27	-25.73	1	7	0	88	407.467	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 508313
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 = 508313 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=508313&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": "508313"        

    });
</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