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

62912865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(4-methylthiazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-methylthiazol…

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)	0.76	4.39	-50.73	0	5	-1	73	253.303	2	↓ MOL2 SDF SMILES Flexibase

62912866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(4-methylthiazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-methylthiazol…

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)	0.76	4.54	-47.46	0	5	-1	73	253.303	2	↓ MOL2 SDF SMILES Flexibase

62913353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,4-dimethylthiazole-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2,4-dimethylthiazole-5-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)	0.47	5.12	-50.74	0	5	-1	73	267.33	2	↓ MOL2 SDF SMILES Flexibase

62913354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,4-dimethylthiazole-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2,4-dimethylthiazole-5-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)	0.47	5.27	-48.15	0	5	-1	73	267.33	2	↓ MOL2 SDF SMILES Flexibase

62914444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(4-methylthiazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-methylthiazole…

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)	1.09	5.03	-43.02	0	5	-1	73	267.33	3	↓ MOL2 SDF SMILES Flexibase

62914445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(4-methylthiazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(4-methylthiazole…

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)	1.09	5.04	-46.95	0	5	-1	73	267.33	3	↓ MOL2 SDF SMILES Flexibase

62914812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,4-dimethylthiazole-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(2,4-dimethylthiazole-5-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	5.76	-43.42	0	5	-1	73	281.357	3	↓ MOL2 SDF SMILES Flexibase

62914813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,4-dimethylthiazole-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(2,4-dimethylthiazole-5-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	5.77	-47.74	0	5	-1	73	281.357	3	↓ MOL2 SDF SMILES Flexibase

62916097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-amino-4-methyl-thiazole-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2-amino-4-methyl-thiazol…

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)	0.37	3.4	-52.35	2	6	-1	99	268.318	2	↓ MOL2 SDF SMILES Flexibase

62916099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-amino-4-methyl-thiazole-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2-amino-4-methyl-thiazol…

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)	0.37	3.55	-49.3	2	6	-1	99	268.318	2	↓ MOL2 SDF SMILES Flexibase

62917689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-amino-4-methyl-thiazole-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(2-amino-4-methyl-thiazol…

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)	0.70	4.06	-44.91	2	6	-1	99	282.345	3	↓ MOL2 SDF SMILES Flexibase

62917692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-amino-4-methyl-thiazole-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(2-amino-4-methyl-thiazol…

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)	0.70	4.07	-48.9	2	6	-1	99	282.345	3	↓ MOL2 SDF SMILES Flexibase

62918980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-amino-4-methyl-thiazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2-amino-4-methyl-thiazol…

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)	1.26	4.81	-45.21	2	6	-1	99	296.372	4	↓ MOL2 SDF SMILES Flexibase

62918982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-amino-4-methyl-thiazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2-amino-4-methyl-thiazol…

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)	1.26	4.83	-49.16	2	6	-1	99	296.372	4	↓ MOL2 SDF SMILES Flexibase

62919917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-methylthiazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(4-methylthiazole-5-carbo…

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)	1.65	5.79	-43.26	0	5	-1	73	281.357	4	↓ MOL2 SDF SMILES Flexibase

62919920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-methylthiazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(4-methylthiazole-5-carbo…

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)	1.65	5.81	-47.19	0	5	-1	73	281.357	4	↓ MOL2 SDF SMILES Flexibase

62922702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,4-dimethylthiazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2,4-dimethylthiazole-5-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)	1.37	6.52	-43.68	0	5	-1	73	295.384	4	↓ MOL2 SDF SMILES Flexibase

62922704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,4-dimethylthiazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2,4-dimethylthiazole-5-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)	1.37	6.54	-47.99	0	5	-1	73	295.384	4	↓ MOL2 SDF SMILES Flexibase

62971905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-methyl-thiazol-5-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2-amino-4-methyl-thiazol-5-yl)-…

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)	0.52	3.65	-46.39	3	5	1	64	255.367	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	1.27	-10.5	2	5	0	62	254.359	2	↓ MOL2 SDF SMILES Flexibase

62971906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-methyl-thiazol-5-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2-amino-4-methyl-thiazol-5-yl)-…

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)	0.52	3.66	-46.43	3	5	1	64	255.367	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	1.28	-10.53	2	5	0	62	254.359	2	↓ MOL2 SDF SMILES Flexibase

62972499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-methyl-thiazol-5-yl)-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone (2-amino-4-methyl-thiazol-5-yl)-…

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)	1.27	4.69	-44.13	3	5	1	64	283.421	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.27	2.53	-10.23	2	5	0	62	282.413	4	↓ MOL2 SDF SMILES Flexibase

62972500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-methyl-thiazol-5-yl)-[(3S)-3-(diethylamino)pyrrolidin-1-yl]methanone (2-amino-4-methyl-thiazol-5-yl)-…

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)	1.27	4.67	-44.2	3	5	1	64	283.421	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.27	2.64	-10.21	2	5	0	62	282.413	4	↓ MOL2 SDF SMILES Flexibase

69927049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dimethylthiazol-5-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone (2,4-dimethylthiazol-5-yl)-[(2R)…

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)	0.89	5.68	-39.77	1	5	1	47	312.459	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.89	5.34	-8.85	0	5	0	46	311.451	6	↓ MOL2 SDF SMILES Flexibase

69927056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dimethylthiazol-5-yl)-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone (2,4-dimethylthiazol-5-yl)-[(2S)…

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)	0.89	5.74	-40.15	1	5	1	47	312.459	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.89	5.52	-9.46	0	5	0	46	311.451	6	↓ MOL2 SDF SMILES Flexibase

67459731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-amino-1-(2-amino-4-ethyl-thiazole-5-carbonyl)-N-isopropyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-(2-amino-4-eth…

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)	-0.29	1.64	-72.18	6	7	1	116	326.446	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.29	1.35	-18.67	5	7	0	114	325.438	4	↓ MOL2 SDF SMILES Flexibase

67514458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-amino-N-ethyl-1-(2-methoxy-4-methyl-thiazole-5-carbonyl)pyrrolidine-2-carboxamide (2S,4R)-4-amino-N-ethyl-1-(2-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)	-0.59	-1.8	-69.15	4	7	1	99	313.403	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.59	-2.08	-14.96	3	7	0	98	312.395	4	↓ MOL2 SDF SMILES Flexibase

42144412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(4-methylthiazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(4-methylthiazole-5-ca…

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)	0.67	4.7	-54.15	0	5	-1	73	253.303	3	↓ MOL2 SDF SMILES Flexibase

42144413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(4-methylthiazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(4-methylthiazole-5-ca…

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)	0.67	4.77	-54.23	0	5	-1	73	253.303	3	↓ MOL2 SDF SMILES Flexibase

42433647

Analogs

42433648

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiazol-5-yl)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)	0.53	2.39	-12.37	1	4	0	53	226.301	2	↓ MOL2 SDF SMILES Flexibase

42433648

Analogs

42433647

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiazol-5-yl)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)	0.53	2.39	-12.36	1	4	0	53	226.301	2	↓ MOL2 SDF SMILES Flexibase

42433824

Analogs

42433825

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dimethylthiazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (2,4-dimethylthiazol-5-yl)-[(2R)…

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)	0.24	3.12	-12.57	1	4	0	53	240.328	2	↓ MOL2 SDF SMILES Flexibase

42433825

Analogs

42433824

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dimethylthiazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (2,4-dimethylthiazol-5-yl)-[(2S)…

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)	0.24	3.12	-12.55	1	4	0	53	240.328	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 214060
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 = 214060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=214060&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": "214060"        

    });
</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