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

61703925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one 3-[(3S)-3-hydroxypyrrolidine-1-c…

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)	-0.42	0.69	-20.86	2	5	0	73	236.271	1	↓ MOL2 SDF SMILES Flexibase

61703926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one 3-[(3R)-3-hydroxypyrrolidine-1-c…

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)	-0.42	0.73	-23.6	2	5	0	73	236.271	1	↓ MOL2 SDF SMILES Flexibase

19442122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-(2-hydroxypyridine-3-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-(2-hydroxypyridine-3-c…

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)	-2.84	1.69	-91.68	1	7	-1	103	265.245	3	↓ MOL2 SDF SMILES Flexibase

19442124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-(2-hydroxypyridine-3-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-(2-hydroxypyridine-3-c…

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)	-2.84	1.91	-66.88	1	7	-1	103	265.245	3	↓ MOL2 SDF SMILES Flexibase

19442126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-(2-hydroxypyridine-3-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-(2-hydroxypyridine-3-c…

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)	-2.84	1.73	-89.54	1	7	-1	103	265.245	3	↓ MOL2 SDF SMILES Flexibase

19442128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-(2-hydroxypyridine-3-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-(2-hydroxypyridine-3-c…

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)	-2.84	1.06	-69.45	1	7	-1	103	265.245	3	↓ MOL2 SDF SMILES Flexibase

36974249

Analogs

19486190

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(4,6-dimethyl-2-oxo-1H-py…

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	4.88	-73.67	1	6	-1	93	263.273	2	↓ MOL2 SDF SMILES Flexibase

36974251

Analogs

19486190

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(4,6-dimethyl-2-oxo-1H-py…

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	5.26	-85.38	1	6	-1	93	263.273	2	↓ MOL2 SDF SMILES Flexibase

62912919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-hydroxypyridine-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2-hydroxypyridine-3-carb…

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)	-0.73	3.77	-62.3	1	6	-1	93	249.246	2	↓ MOL2 SDF SMILES Flexibase

62912920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-hydroxypyridine-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2-hydroxypyridine-3-carb…

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)	-0.73	3.82	-78.59	1	6	-1	93	249.246	2	↓ MOL2 SDF SMILES Flexibase

62913531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-hydroxy-5-nitro-pyridine-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2-hydroxy-5-nitro-pyridi…

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)	-0.62	4.44	-55.73	1	9	-1	139	294.243	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.16	3.45	-99.85	0	9	-2	142	293.235	3	↓ MOL2 SDF SMILES Flexibase

62913532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-hydroxy-5-nitro-pyridine-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2-hydroxy-5-nitro-pyridi…

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)	-0.62	4.49	-68.8	1	9	-1	139	294.243	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.16	3.72	-104.61	0	9	-2	142	293.235	3	↓ MOL2 SDF SMILES Flexibase

62913935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4,6-dimethyl-2-oxo-1H-py…

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)	0.09	5.06	-69.85	1	6	-1	93	277.3	2	↓ MOL2 SDF SMILES Flexibase

62913936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4,6-dimethyl-2-oxo-1H-py…

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)	0.09	4.91	-77.26	1	6	-1	93	277.3	2	↓ MOL2 SDF SMILES Flexibase

62914488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(2-hydroxypyridine-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(2-hydroxypyridin…

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)	-0.39	4.28	-61.19	1	6	-1	93	263.273	3	↓ MOL2 SDF SMILES Flexibase

62914489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(2-hydroxypyridine-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(2-hydroxypyridin…

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)	-0.39	4.32	-78.26	1	6	-1	93	263.273	3	↓ MOL2 SDF SMILES Flexibase

62915777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(4,6-dimethyl-2-oxo-1H-py…

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)	0.42	5.54	-59.65	1	6	-1	93	291.327	3	↓ MOL2 SDF SMILES Flexibase

62915780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(4,6-dimethyl-2-oxo-1H-py…

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)	0.42	5.57	-77.22	1	6	-1	93	291.327	3	↓ MOL2 SDF SMILES Flexibase

62920154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-hydroxypyridine-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2-hydroxypyridine-3-carb…

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)	0.17	5.04	-61.58	1	6	-1	93	277.3	4	↓ MOL2 SDF SMILES Flexibase

62920156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-hydroxypyridine-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2-hydroxypyridine-3-carb…

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)	0.17	5.08	-78.81	1	6	-1	93	277.3	4	↓ MOL2 SDF SMILES Flexibase

67490806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-amino-N,N-diethyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide (2S,4R)-4-amino-N,N-diethyl-1-(6…

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	2.7	-80.56	4	7	1	101	321.401	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.58	2.4	-31.75	3	7	0	100	320.393	4	↓ MOL2 SDF SMILES Flexibase

67560662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-amino-N-ethyl-1-(6-isopropyl-1-methyl-2-oxo-pyridine-3-carbonyl)pyrrolidine-2-carboxamide (2S,4S)-4-amino-N-ethyl-1-(6-iso…

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)	-1.08	2.63	-71.49	4	7	1	99	335.428	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.08	2.35	-24.25	3	7	0	97	334.42	4	↓ MOL2 SDF SMILES Flexibase

67983450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-amino-1-(6-ethyl-1,5-dimethyl-2-oxo-pyridine-3-carbonyl)-N-methyl-pyrrolidine-2-carboxamid (2S,4R)-4-amino-1-(6-ethyl-1,5-d…

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)	-1.18	1.82	-78.32	4	7	1	99	321.401	3	↓ MOL2 SDF SMILES Flexibase

42144454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(2-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2-hydroxypyridine-3-c…

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)	-0.81	5.35	-81	1	6	-1	93	249.246	3	↓ MOL2 SDF SMILES Flexibase

42144455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2-hydroxypyridine-3-c…

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)	-0.81	5.23	-81.56	1	6	-1	93	249.246	3	↓ MOL2 SDF SMILES Flexibase

42144749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(2-hydroxy-5-nitro-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2-hydroxy-5-nitro-pyr…

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)	-0.71	5.93	-76.2	1	9	-1	139	294.243	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.25	4.51	-129.2	0	9	-2	142	293.235	4	↓ MOL2 SDF SMILES Flexibase

42144750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2-hydroxy-5-nitro-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2-hydroxy-5-nitro-pyr…

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)	-0.71	5.78	-76.58	1	9	-1	139	294.243	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.25	4.7	-132.21	0	9	-2	142	293.235	4	↓ MOL2 SDF SMILES Flexibase

42145145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(4,6-dimethyl-2-oxo-1H…

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)	0.00	5.32	-79.82	1	6	-1	93	277.3	3	↓ MOL2 SDF SMILES Flexibase

42145146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(4,6-dimethyl-2-oxo-1H…

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)	0.00	5.45	-72.56	1	6	-1	93	277.3	3	↓ MOL2 SDF SMILES Flexibase

42433258

Analogs

42433259

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one 3-[(2R)-2-(hydroxymethyl)pyrroli…

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)	-0.15	1.59	-20.7	2	5	0	73	250.298	2	↓ MOL2 SDF SMILES Flexibase

42433259

Analogs

42433258

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one 3-[(2S)-2-(hydroxymethyl)pyrroli…

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)	-0.15	1.57	-22.29	2	5	0	73	250.298	2	↓ MOL2 SDF SMILES Flexibase

42433747

Analogs

42433748

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-hydroxy-3-pyridyl)methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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)	-0.96	1.82	-26.24	2	5	0	73	222.244	2	↓ MOL2 SDF SMILES Flexibase

42433748

Analogs

42433747

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-hydroxy-3-pyridyl)methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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)	-0.96	1.87	-25.57	2	5	0	73	222.244	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 8730
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 = 8730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=8730&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": "8730"        

    });
</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