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

65319485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-benzyl-2-[6-methyl-7-oxo-2-(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)	2.84	9.9	-15.62	1	7	0	80	429.571	6	↓ MOL2 SDF SMILES Flexibase

65319518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-benzyl-2-[7-oxo-2-(1-piperidyl…

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)	3.71	11.59	-15.23	1	7	0	80	457.625	8	↓ MOL2 SDF SMILES Flexibase

65319519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl N-[(4-methoxyphenyl)methyl]-2-[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)	3.77	10.89	-16.63	1	8	0	89	487.651	9	↓ MOL2 SDF SMILES Flexibase

65319520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl- N-[(2-chlorophenyl)methyl]-2-[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)	4.34	12.01	-15.77	1	7	0	80	492.07	8	↓ MOL2 SDF SMILES Flexibase

65319521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolylmethyl)acetamide 2-[7-oxo-2-(1-piperidyl)-6-propy…

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)	4.16	12.27	-15.16	1	7	0	80	471.652	8	↓ MOL2 SDF SMILES Flexibase

65319522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl N-[(3-methoxyphenyl)methyl]-2-[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)	3.75	10.89	-16.65	1	8	0	89	487.651	9	↓ MOL2 SDF SMILES Flexibase

65319523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl- N-[(4-chlorophenyl)methyl]-2-[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)	4.39	12.11	-15.58	1	7	0	80	492.07	8	↓ MOL2 SDF SMILES Flexibase

65319528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl- N-[(4-fluorophenyl)methyl]-2-[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)	3.88	11.66	-16.26	1	7	0	80	475.615	8	↓ MOL2 SDF SMILES Flexibase

65319565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[6-isopropyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-benzyl-2-[6-isopropyl-7-oxo-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)	3.57	11.37	-14.88	1	7	0	80	457.625	7	↓ MOL2 SDF SMILES Flexibase

65319568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[6-isopropyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-[(2-chlorophenyl)methyl]-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)	4.20	11.79	-15.37	1	7	0	80	492.07	7	↓ MOL2 SDF SMILES Flexibase

65319569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-isopropyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolylmethyl)acetamid 2-[6-isopropyl-7-oxo-2-(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)	4.02	12.05	-14.78	1	7	0	80	471.652	7	↓ MOL2 SDF SMILES Flexibase

65319570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-isopropyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(3-methoxyphenyl)methy 2-[6-isopropyl-7-oxo-2-(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)	3.61	10.67	-16.28	1	8	0	89	487.651	8	↓ MOL2 SDF SMILES Flexibase

65319617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[6-ethyl-2-(4-methyl-1-piperidyl)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-benzyl-2-[6-ethyl-2-(4-methyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	11.42	-15.32	1	7	0	80	457.625	7	↓ MOL2 SDF SMILES Flexibase

65319618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-ethyl-2-(4-methyl-1-piperidyl)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(4-methoxyphenyl 2-[6-ethyl-2-(4-methyl-1-piperid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	10.72	-16.69	1	8	0	89	487.651	8	↓ MOL2 SDF SMILES Flexibase

65319619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[6-ethyl-2-(4-methyl-1-piperidyl)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]s N-[(2-chlorophenyl)methyl]-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)	4.08	11.84	-15.83	1	7	0	80	492.07	7	↓ MOL2 SDF SMILES Flexibase

65319621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-ethyl-2-(4-methyl-1-piperidyl)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolylmethyl)ac 2-[6-ethyl-2-(4-methyl-1-piperid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	12.1	-15.27	1	7	0	80	471.652	7	↓ MOL2 SDF SMILES Flexibase

65319622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-ethyl-2-(4-methyl-1-piperidyl)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(3-methoxyphenyl 2-[6-ethyl-2-(4-methyl-1-piperid…

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	10.72	-16.8	1	8	0	89	487.651	8	↓ MOL2 SDF SMILES Flexibase

65319630

Analogs

Draw Identity 99% 90% 80% 70%

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

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)	3.62	11.49	-16.35	1	7	0	80	475.615	7	↓ MOL2 SDF SMILES Flexibase

65319679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[2-(4-methyl-1-piperidyl)-7-oxo-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-benzyl-2-[2-(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)	3.96	12.18	-15.02	1	7	0	80	471.652	8	↓ MOL2 SDF SMILES Flexibase

65319680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-methyl-1-piperidyl)-7-oxo-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolylmethyl)a 2-[2-(4-methyl-1-piperidyl)-7-ox…

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)	4.40	12.86	-14.99	1	7	0	80	485.679	8	↓ MOL2 SDF SMILES Flexibase

65319688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[2-(4-methyl-1-piperidyl)-7-oxo-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl] N-[(4-fluorophenyl)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)	4.12	12.25	-16.1	1	7	0	80	489.642	8	↓ MOL2 SDF SMILES Flexibase

65319746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[6-isopropyl-2-(4-methyl-1-piperidyl)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetam N-benzyl-2-[6-isopropyl-2-(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)	3.82	11.96	-14.63	1	7	0	80	471.652	7	↓ MOL2 SDF SMILES Flexibase

65319748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-isopropyl-2-(4-methyl-1-piperidyl)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolylmethy 2-[6-isopropyl-2-(4-methyl-1-pip…

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)	4.26	12.63	-14.59	1	7	0	80	485.679	7	↓ MOL2 SDF SMILES Flexibase

65319752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[6-isopropyl-2-(4-methyl-1-piperidyl)-7-oxo-thiazolo[4,5-d]pyrimidin-5- N-[(4-fluorophenyl)methyl]-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)	3.98	12.03	-15.71	1	7	0	80	489.642	7	↓ MOL2 SDF SMILES Flexibase

65320153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-allyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-benzyl-acetamide 2-[6-allyl-7-oxo-2-(1-piperidyl)…

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	11.39	-15.1	1	7	0	80	455.609	8	↓ MOL2 SDF SMILES Flexibase

65320154

Analogs

Draw Identity 99% 90% 80% 70%

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

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	10.69	-16.5	1	8	0	89	485.635	9	↓ MOL2 SDF SMILES Flexibase

65320155

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	11.81	-15.62	1	7	0	80	490.054	8	↓ MOL2 SDF SMILES Flexibase

65320156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-allyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolylmethyl)acetamide 2-[6-allyl-7-oxo-2-(1-piperidyl)…

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)	3.93	12.07	-15.09	1	7	0	80	469.636	8	↓ MOL2 SDF SMILES Flexibase

65320157

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	10.69	-16.48	1	8	0	89	485.635	9	↓ MOL2 SDF SMILES Flexibase

65320158

Analogs

Draw Identity 99% 90% 80% 70%

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

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)	4.16	11.91	-15.46	1	7	0	80	490.054	8	↓ MOL2 SDF SMILES Flexibase

65320166

Analogs

Draw Identity 99% 90% 80% 70%

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

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)	3.64	11.46	-16.04	1	7	0	80	473.599	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 389176
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 = 389176 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=389176&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": "389176"        

    });
</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