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

20614593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic 1-methyl-5-[(4-methyl-1,3-benzot…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	4.97	-55.96	1	7	-1	100	315.334	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.04	3.89	-121.31	0	7	-2	106	314.326	3	↓ MOL2 SDF SMILES Flexibase

20614635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic 1-methyl-5-[(6-methylsulfonyl-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)	0.42	3.13	-62.69	1	9	-1	134	379.399	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.49	1.03	-124.17	0	9	-2	140	378.391	4	↓ MOL2 SDF SMILES Flexibase

20614664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(6-bromo-1,3-benzothiazol-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	6.2	-53.16	1	7	-1	100	380.203	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.43	3.77	-112.88	0	7	-2	106	379.195	3	↓ MOL2 SDF SMILES Flexibase

20614728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(6-ethoxy-1,3-benzothiazol-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	4.85	-58.71	1	8	-1	109	345.36	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	3.78	-121.26	0	8	-2	116	344.352	5	↓ MOL2 SDF SMILES Flexibase

20614734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,3-benzothiazol-2-ylcarbamoyl)-1-methyl-pyrazole-4-carboxylic 5-(1,3-benzothiazol-2-ylcarbamoy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.57	4.24	-55.61	1	7	-1	100	301.307	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.64	3.17	-120.37	0	7	-2	106	300.299	3	↓ MOL2 SDF SMILES Flexibase

20614739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(6-methoxy-1,3-benzothiazol-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.61	3.87	-58.89	1	8	-1	109	331.333	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	2.81	-121.61	0	8	-2	116	330.325	4	↓ MOL2 SDF SMILES Flexibase

12229334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(1,3-benzothiazol-2-yl)-N-(2-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)	2.57	2.09	-43.84	1	6	1	55	344.464	5	↓ MOL2 SDF SMILES Flexibase

12229338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(1,3-benzothiazol-2-yl)-N-(3-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)	2.84	1.33	-56.69	1	6	1	55	358.491	6	↓ MOL2 SDF SMILES Flexibase

12229343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(2-dimethylaminoethyl)-N-(6-me…

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)	2.60	1.6	-40.8	1	7	1	65	374.49	6	↓ MOL2 SDF SMILES Flexibase

12229346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(3-dimethylaminopropyl)-N-(6-m…

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)	2.87	1.17	-52.13	1	7	1	65	388.517	7	↓ MOL2 SDF SMILES Flexibase

12229350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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)	3.22	1.17	-55.35	1	6	1	55	378.909	5	↓ MOL2 SDF SMILES Flexibase

12229352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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	1.18	-55.86	1	6	1	55	392.936	6	↓ MOL2 SDF SMILES Flexibase

12229357

Analogs

12229359

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(2-dimethylaminoethyl)-N-(6-fl…

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)	2.71	2.05	-55.57	1	6	1	55	362.454	5	↓ MOL2 SDF SMILES Flexibase

12229359

Analogs

12229357

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(2-diethylaminoethyl)-N-(6-flu…

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)	3.46	2.82	-44.06	1	6	1	55	390.508	7	↓ MOL2 SDF SMILES Flexibase

12229363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(3-dimethylaminopropyl)-N-(6-f…

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)	2.98	2	-56.72	1	6	1	55	376.481	6	↓ MOL2 SDF SMILES Flexibase

12229367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(2-dimethylaminoethyl)-N-(4-me…

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)	2.58	2.37	-44.87	1	7	1	65	374.49	6	↓ MOL2 SDF SMILES Flexibase

12229372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(3-dimethylaminopropyl)-N-(4-m…

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)	2.85	-0.31	-56.69	1	7	1	65	388.517	7	↓ MOL2 SDF SMILES Flexibase

12229376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(4-chloro-1,3-benzothiazol-2-y…

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)	3.20	1.19	-58.22	1	6	1	55	378.909	5	↓ MOL2 SDF SMILES Flexibase

12229378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(4-chloro-1,3-benzothiazol-2-y…

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)	3.47	1.18	-45.19	1	6	1	55	392.936	6	↓ MOL2 SDF SMILES Flexibase

12229382

Analogs

12229388

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(2-dimethylaminoethyl)-N-(4-fl…

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)	2.69	2.88	-48.74	1	6	1	55	362.454	5	↓ MOL2 SDF SMILES Flexibase

12229388

Analogs

12229382

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(2-diethylaminoethyl)-N-(4-flu…

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	2.98	-46.99	1	6	1	55	390.508	7	↓ MOL2 SDF SMILES Flexibase

12229390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(3-dimethylaminopropyl)-N-(4-f…

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)	2.96	1.48	-43.55	1	6	1	55	376.481	6	↓ MOL2 SDF SMILES Flexibase

12229393

Analogs

12229398

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(4,6-difluoro-1,3-benzothiazol…

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	3.55	-48.28	1	6	1	55	380.444	5	↓ MOL2 SDF SMILES Flexibase

12229398

Analogs

12229393

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carboxamide N-(2-diethylaminoethyl)-N-(4,6-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)	3.55	2.53	-46.86	1	6	1	55	408.498	7	↓ MOL2 SDF SMILES Flexibase

12229402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(4,6-difluoro-1,3-benzothiazol…

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)	3.07	2.77	-59.83	1	6	1	55	394.471	6	↓ MOL2 SDF SMILES Flexibase

12229404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(4,7-dimethoxy-1,3-benzothiazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	1.22	-50.6	1	8	1	74	404.516	7	↓ MOL2 SDF SMILES Flexibase

12229409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2,5-dimethyl-pyrazole-3-carboxamid N-(4,7-dimethoxy-1,3-benzothiazo…

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)	2.86	1.23	-52.8	1	8	1	74	418.543	8	↓ MOL2 SDF SMILES Flexibase

12229414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-pyrazole-3-carbo N-(3-dimethylaminopropyl)-N-(4-m…

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)	3.25	1.54	-49.91	1	7	1	65	402.544	7	↓ MOL2 SDF SMILES Flexibase

12229459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2,5-dimethyl-pyrazole-3-carbox N-(7-chloro-4-methoxy-1,3-benzot…

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)	3.21	1.53	-44.03	1	7	1	65	408.935	6	↓ MOL2 SDF SMILES Flexibase

12229463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2,5-dimethyl-pyrazole-3-carbo N-(7-chloro-4-methoxy-1,3-benzot…

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	1.19	-58.14	1	7	1	65	422.962	7	↓ MOL2 SDF SMILES Flexibase

69810046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2,5-dimethyl-pyrazole-3-carboxamide N-[4-(difluoromethoxy)-1,3-benzo…

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)	2.86	5.15	-13.03	1	6	0	69	338.339	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 73910
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 = 73910 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=73910&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": "73910"        

    });
</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