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

65319756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenyl-acetamide 2-(6-methyl-7-oxo-2-pyrrolidin-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)	2.63	9.02	-17.26	1	7	0	80	401.517	5	↓ MOL2 SDF SMILES Flexibase

65319758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ace N-(4-isopropylphenyl)-2-(6-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)	4.14	10.94	-17.01	1	7	0	80	443.598	6	↓ MOL2 SDF SMILES Flexibase

65319759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetam N-(3-chlorophenyl)-2-(6-methyl-7…

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)	3.28	9.54	-18.47	1	7	0	80	435.962	5	↓ MOL2 SDF SMILES Flexibase

65319760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetam N-(2-chlorophenyl)-2-(6-methyl-7…

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)	3.26	9.65	-15.9	1	7	0	80	435.962	5	↓ MOL2 SDF SMILES Flexibase

65319762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfa 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)	3.68	10.43	-18.15	1	7	0	80	449.989	5	↓ MOL2 SDF SMILES Flexibase

65319763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ac N-(2,4-dimethylphenyl)-2-(6-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	10.57	-17.19	1	7	0	80	429.571	5	↓ MOL2 SDF SMILES Flexibase

65319765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ac N-(2,4-difluorophenyl)-2-(6-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	9.19	-15.68	1	7	0	80	437.497	5	↓ MOL2 SDF SMILES Flexibase

65319767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetam N-(2-fluorophenyl)-2-(6-methyl-7…

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)	2.74	9.12	-16.43	1	7	0	80	419.507	5	↓ MOL2 SDF SMILES Flexibase

65319768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetam N-(3-fluorophenyl)-2-(6-methyl-7…

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	9.09	-19.49	1	7	0	80	419.507	5	↓ MOL2 SDF SMILES Flexibase

65319769

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)	2.80	9.68	-21.56	1	9	0	106	459.553	7	↓ MOL2 SDF SMILES Flexibase

65319770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetam N-(4-ethoxyphenyl)-2-(6-methyl-7…

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)	3.06	9.24	-18.2	1	8	0	89	445.57	7	↓ MOL2 SDF SMILES Flexibase

65319771

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)	3.17	10.6	-20.17	1	9	0	106	473.58	8	↓ MOL2 SDF SMILES Flexibase

65319773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetami N-(2-ethylphenyl)-2-(6-methyl-7-…

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)	3.50	10.69	-16.66	1	7	0	80	429.571	6	↓ MOL2 SDF SMILES Flexibase

65319775

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)	3.31	10.94	-17.55	1	9	0	106	473.58	8	↓ MOL2 SDF SMILES Flexibase

65319777

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)	2.93	9.97	-17.58	1	9	0	106	459.553	7	↓ MOL2 SDF SMILES Flexibase

65319778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin- N-(4-chloro-2-methoxy-5-methyl-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	9.55	-16.46	1	8	0	89	480.015	6	↓ MOL2 SDF SMILES Flexibase

65319781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetam N-(4-acetylphenyl)-2-(6-methyl-7…

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)	2.53	9.43	-20.56	1	8	0	97	443.554	6	↓ MOL2 SDF SMILES Flexibase

65319782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ac N-(2,5-difluorophenyl)-2-(6-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	9.19	-16.95	1	7	0	80	437.497	5	↓ MOL2 SDF SMILES Flexibase

65319784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-(o-tolyl)acetamide 2-(6-methyl-7-oxo-2-pyrrolidin-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)	3.03	9.91	-17.17	1	7	0	80	415.544	5	↓ MOL2 SDF SMILES Flexibase

65319786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ac N-(3,4-dimethylphenyl)-2-(6-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	10.25	-17.36	1	7	0	80	429.571	5	↓ MOL2 SDF SMILES Flexibase

65319787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-a N-(2,4-dimethoxyphenyl)-2-(6-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	7.71	-17.74	1	9	0	99	461.569	7	↓ MOL2 SDF SMILES Flexibase

65319789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-a N-(2,5-dimethoxyphenyl)-2-(6-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	7.71	-19.5	1	9	0	99	461.569	7	↓ MOL2 SDF SMILES Flexibase

65319790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-aceta N-(4-methoxyphenyl)-2-(6-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)	2.68	8.31	-18.26	1	8	0	89	431.543	6	↓ MOL2 SDF SMILES Flexibase

65319792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-(p-tolyl)acetamide 2-(6-methyl-7-oxo-2-pyrrolidin-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)	3.08	9.69	-17.29	1	7	0	80	415.544	5	↓ MOL2 SDF SMILES Flexibase

65319793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-aceta N-(3-methoxyphenyl)-2-(6-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)	2.66	8.32	-20.04	1	8	0	89	431.543	6	↓ MOL2 SDF SMILES Flexibase

65319795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetami N-(4-bromophenyl)-2-(6-methyl-7-…

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)	3.44	9.64	-17.21	1	7	0	80	480.413	5	↓ MOL2 SDF SMILES Flexibase

65319797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetami N-(4-ethylphenyl)-2-(6-methyl-7-…

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)	3.54	10.46	-17.16	1	7	0	80	429.571	6	↓ MOL2 SDF SMILES Flexibase

65319799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl 2-(6-methyl-7-oxo-2-pyrrolidin-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)	2.26	8.16	-21.85	1	10	0	108	491.595	8	↓ MOL2 SDF SMILES Flexibase

65319800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-[2-(trifluoromethyl)phe 2-(6-methyl-7-oxo-2-pyrrolidin-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)	3.48	10.27	-15.97	1	7	0	80	469.514	6	↓ MOL2 SDF SMILES Flexibase

65319802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dimethylphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ac N-(2,6-dimethylphenyl)-2-(6-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	10.87	-17.31	1	7	0	80	429.571	5	↓ MOL2 SDF SMILES Flexibase

65319803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-fluoro-2-methyl-phenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfa N-(5-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)	3.17	9.98	-19.12	1	7	0	80	433.534	5	↓ MOL2 SDF SMILES Flexibase

65319805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetam N-(4-fluorophenyl)-2-(6-methyl-7…

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)	2.79	9.09	-17.8	1	7	0	80	419.507	5	↓ MOL2 SDF SMILES Flexibase

65319807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfa 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)	3.68	10.12	-16.63	1	7	0	80	449.989	5	↓ MOL2 SDF SMILES Flexibase

65319808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl) 2-(6-methyl-7-oxo-2-pyrrolidin-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)	2.89	11.31	-16.9	1	7	0	80	443.598	5	↓ MOL2 SDF SMILES Flexibase

65319809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-3-methyl-phenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfan N-(4-bromo-3-methyl-phenyl)-2-(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)	3.81	10.21	-17.29	1	7	0	80	494.44	5	↓ MOL2 SDF SMILES Flexibase

65319812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-[3-(trifluoromethyl)phe 2-(6-methyl-7-oxo-2-pyrrolidin-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)	3.50	10.03	-19.76	1	7	0	80	469.514	6	↓ MOL2 SDF SMILES Flexibase

65319814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-aceta N-(2-methoxyphenyl)-2-(6-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)	2.64	8.43	-17.27	1	8	0	89	431.543	6	↓ MOL2 SDF SMILES Flexibase

65319816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-methyl-phenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfa N-(2-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)	3.68	10.3	-15.62	1	7	0	80	449.989	5	↓ MOL2 SDF SMILES Flexibase

65319818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulf N-(5-chloro-2-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)	3.29	8.95	-17.7	1	8	0	89	465.988	6	↓ MOL2 SDF SMILES Flexibase

65319826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-(4-isopropylphenyl)aceta 2-(6-ethyl-7-oxo-2-pyrrolidin-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)	4.52	11.87	-16.77	1	7	0	80	457.625	7	↓ MOL2 SDF SMILES Flexibase

65319827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfa 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)	3.67	9.8	-20.48	1	8	0	89	480.015	7	↓ MOL2 SDF SMILES Flexibase

65319829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetami N-(2-chlorophenyl)-2-(6-ethyl-7-…

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)	3.63	10.59	-15.76	1	7	0	80	449.989	6	↓ MOL2 SDF SMILES Flexibase

65319831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetami N-(4-chlorophenyl)-2-(6-ethyl-7-…

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)	3.68	10.47	-17.16	1	7	0	80	449.989	6	↓ MOL2 SDF SMILES Flexibase

65319832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfan 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)	4.06	11.31	-17.99	1	7	0	80	464.016	6	↓ MOL2 SDF SMILES Flexibase

65319833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ace N-(2,4-dimethylphenyl)-2-(6-ethy…

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)	3.83	11.47	-16.99	1	7	0	80	443.598	6	↓ MOL2 SDF SMILES Flexibase

65319835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ace N-(2,4-difluorophenyl)-2-(6-ethy…

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)	3.26	10.12	-15.53	1	7	0	80	451.524	6	↓ MOL2 SDF SMILES Flexibase

65319837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamid 2-(6-ethyl-7-oxo-2-pyrrolidin-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)	3.12	10.06	-16.29	1	7	0	80	433.534	6	↓ MOL2 SDF SMILES Flexibase

65319838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ace N-(3,5-dimethylphenyl)-2-(6-ethy…

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)	3.83	11.29	-17.1	1	7	0	80	443.598	6	↓ MOL2 SDF SMILES Flexibase

65319841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-ac N-(3,5-dimethoxyphenyl)-2-(6-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)	3.05	8.56	-19.78	1	9	0	99	475.596	8	↓ MOL2 SDF SMILES Flexibase

65319844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-(3-fluorophenyl)acetamid 2-(6-ethyl-7-oxo-2-pyrrolidin-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)	3.14	10.02	-19.38	1	7	0	80	433.534	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 389339
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 = 389339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=389339&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": "389339"        

    });
</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