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

8979370

Analogs

8979371
8979487
8979489

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-(4-phenylpiperazin-1-yl)car…

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)	3.85	-3.54	-13.61	1	6	0	65	446.576	4	↓ MOL2 SDF SMILES Flexibase

8979371

Analogs

8979487
8979489
8979370

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-(4-phenylpiperazin-1-yl)car…

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)	3.85	-2.86	-12.26	1	6	0	65	446.576	4	↓ MOL2 SDF SMILES Flexibase

8979372

Analogs

8979373
8979491
8979493

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-chlorophenyl)piperazi…

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)	4.48	-3.53	-15.25	1	6	0	65	481.021	4	↓ MOL2 SDF SMILES Flexibase

8979373

Analogs

8979491
8979493
8979372

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-chlorophenyl)piperazi…

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)	4.48	-2.47	-11.68	1	6	0	65	481.021	4	↓ MOL2 SDF SMILES Flexibase

8979374

Analogs

8979375
8979494
8979496

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(3-chlorophenyl)piperazi…

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)	4.51	-3.68	-13.57	1	6	0	65	481.021	4	↓ MOL2 SDF SMILES Flexibase

8979375

Analogs

8979494
8979496
8979374

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(3-chlorophenyl)piperazi…

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)	4.51	-2.99	-11.93	1	6	0	65	481.021	4	↓ MOL2 SDF SMILES Flexibase

8979376

Analogs

8979377
8979498
8979499

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-fluorophenyl)piperazi…

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)	3.97	-3.12	-14.56	1	6	0	65	464.566	4	↓ MOL2 SDF SMILES Flexibase

8979377

Analogs

8979498
8979499
8979376

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-fluorophenyl)piperazi…

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)	3.97	-1.9	-12.59	1	6	0	65	464.566	4	↓ MOL2 SDF SMILES Flexibase

8979378

Analogs

8979379
8979501
8979502

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-fluorophenyl)piperazi…

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	-2.8	-14.43	1	6	0	65	464.566	4	↓ MOL2 SDF SMILES Flexibase

8979379

Analogs

8979501
8979502
8979378

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-fluorophenyl)piperazi…

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	-2.13	-13.02	1	6	0	65	464.566	4	↓ MOL2 SDF SMILES Flexibase

8979380

Analogs

8979381
8979504
8979506

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-methoxyphenyl)piperaz…

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)	3.91	-2.82	-13.44	1	7	0	74	476.602	5	↓ MOL2 SDF SMILES Flexibase

8979381

Analogs

8979504
8979506
8979380

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-methoxyphenyl)piperaz…

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)	3.91	-3.53	-14.98	1	7	0	74	476.602	5	↓ MOL2 SDF SMILES Flexibase

8979382

Analogs

8979383
8979507
8979509

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-methoxyphenyl)piperaz…

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)	3.86	-2.54	-13.35	1	7	0	74	476.602	5	↓ MOL2 SDF SMILES Flexibase

8979383

Analogs

8979507
8979509
8979382

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(2-methoxyphenyl)piperaz…

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)	3.86	-2.99	-14.07	1	7	0	74	476.602	5	↓ MOL2 SDF SMILES Flexibase

8979396

Analogs

8979397
8979529
8979530

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-chlorophenyl)piperazi…

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)	4.53	-3.68	-13.76	1	6	0	65	481.021	4	↓ MOL2 SDF SMILES Flexibase

8979397

Analogs

8979529
8979530
8979396

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-chlorophenyl)piperazi…

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)	4.53	-3.01	-12.4	1	6	0	65	481.021	4	↓ MOL2 SDF SMILES Flexibase

8979398

Analogs

8979399

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-acetylphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-acetylphenyl)piperazi…

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	-2.49	-16.53	1	7	0	82	488.613	5	↓ MOL2 SDF SMILES Flexibase

8979399

Analogs

8979398

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-acetylphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(4-acetylphenyl)piperazi…

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	-3.16	-18.8	1	7	0	82	488.613	5	↓ MOL2 SDF SMILES Flexibase

8979400

Analogs

8979401
8979535
8979537

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(3-methoxyphenyl)piperaz…

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	-2.82	-13.1	1	7	0	74	476.602	5	↓ MOL2 SDF SMILES Flexibase

8979401

Analogs

8979535
8979537
8979400

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]benzamide N-[4-[4-(3-methoxyphenyl)piperaz…

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	-3.56	-15.27	1	7	0	74	476.602	5	↓ MOL2 SDF SMILES Flexibase

8979402

Analogs

8979403

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-chloro-N-[4-(4-phenylpiperazin…

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)	4.53	-3.01	-11.67	1	6	0	65	481.021	4	↓ MOL2 SDF SMILES Flexibase

8979403

Analogs

8979402

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-chloro-N-[4-(4-phenylpiperazin…

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)	4.53	-3.68	-12.68	1	6	0	65	481.021	4	↓ MOL2 SDF SMILES Flexibase

8979408

Analogs

8979409

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzam 4-chloro-N-[4-[4-(2-fluorophenyl…

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)	4.65	-2.05	-11.8	1	6	0	65	499.011	4	↓ MOL2 SDF SMILES Flexibase

8979409

Analogs

8979408

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzam 4-chloro-N-[4-[4-(2-fluorophenyl…

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)	4.65	-3.26	-13	1	6	0	65	499.011	4	↓ MOL2 SDF SMILES Flexibase

8979410

Analogs

8979411

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzam 4-chloro-N-[4-[4-(4-fluorophenyl…

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)	4.69	-2.94	-12.32	1	6	0	65	499.011	4	↓ MOL2 SDF SMILES Flexibase

8979411

Analogs

8979410

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzam 4-chloro-N-[4-[4-(4-fluorophenyl…

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)	4.69	-2.27	-12.66	1	6	0	65	499.011	4	↓ MOL2 SDF SMILES Flexibase

8979435

Analogs

8979437

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-methoxy-N-[4-(4-phenylpiperazi…

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)	3.91	-3.5	-14.22	1	7	0	74	476.602	5	↓ MOL2 SDF SMILES Flexibase

8979437

Analogs

8979435

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-methoxy-N-[4-(4-phenylpiperazi…

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)	3.91	-2.78	-12.97	1	7	0	74	476.602	5	↓ MOL2 SDF SMILES Flexibase

8979445

Analogs

8979446

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methoxy-benza N-[4-[4-(2-fluorophenyl)piperazi…

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	-3.07	-14.91	1	7	0	74	494.592	5	↓ MOL2 SDF SMILES Flexibase

8979446

Analogs

8979445

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methoxy-benza N-[4-[4-(2-fluorophenyl)piperazi…

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	-1.87	-13.19	1	7	0	74	494.592	5	↓ MOL2 SDF SMILES Flexibase

8979448

Analogs

8979450

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methoxy-benza N-[4-[4-(4-fluorophenyl)piperazi…

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)	4.07	-2.76	-13.61	1	7	0	74	494.592	5	↓ MOL2 SDF SMILES Flexibase

8979450

Analogs

8979448

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methoxy-benza N-[4-[4-(4-fluorophenyl)piperazi…

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)	4.07	-2.09	-13.89	1	7	0	74	494.592	5	↓ MOL2 SDF SMILES Flexibase

8979487

Analogs

8979489
8979370
8979371

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-methyl-N-[4-(4-phenylpiperazin…

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)	4.30	-3.21	-13.33	1	6	0	65	460.603	4	↓ MOL2 SDF SMILES Flexibase

8979489

Analogs

8979370
8979371
8979487

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[4-(4-phenylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-benzamide 4-methyl-N-[4-(4-phenylpiperazin…

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)	4.30	-2.5	-11.98	1	6	0	65	460.603	4	↓ MOL2 SDF SMILES Flexibase

8979491

Analogs

8979493
8979372
8979373

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(2-chlorophenyl)piperazi…

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)	4.93	-3.2	-14.77	1	6	0	65	495.048	4	↓ MOL2 SDF SMILES Flexibase

8979493

Analogs

8979372
8979373
8979491

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(2-chlorophenyl)piperazi…

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)	4.93	-2.15	-11.5	1	6	0	65	495.048	4	↓ MOL2 SDF SMILES Flexibase

8979494

Analogs

8979496
8979374
8979375

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(3-chlorophenyl)piperazi…

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)	4.95	-3.35	-13.3	1	6	0	65	495.048	4	↓ MOL2 SDF SMILES Flexibase

8979496

Analogs

8979374
8979375
8979494

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(3-chlorophenyl)piperazi…

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)	4.95	-2.67	-11.68	1	6	0	65	495.048	4	↓ MOL2 SDF SMILES Flexibase

8979498

Analogs

8979499
8979376
8979377

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(2-fluorophenyl)piperazi…

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)	4.42	-2.79	-14.13	1	6	0	65	478.593	4	↓ MOL2 SDF SMILES Flexibase

8979499

Analogs

8979376
8979377
8979498

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(2-fluorophenyl)piperazi…

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)	4.42	-1.58	-12.39	1	6	0	65	478.593	4	↓ MOL2 SDF SMILES Flexibase

8979501

Analogs

8979502
8979378
8979379

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(4-fluorophenyl)piperazi…

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)	4.46	-2.47	-12.82	1	6	0	65	478.593	4	↓ MOL2 SDF SMILES Flexibase

8979502

Analogs

8979378
8979379
8979501

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(4-fluorophenyl)piperazi…

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)	4.46	-1.8	-12.78	1	6	0	65	478.593	4	↓ MOL2 SDF SMILES Flexibase

8979504

Analogs

8979506
8979380
8979381

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benza N-[4-[4-(4-methoxyphenyl)piperaz…

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)	4.36	-3.21	-14.66	1	7	0	74	490.629	5	↓ MOL2 SDF SMILES Flexibase

8979506

Analogs

8979380
8979381
8979504

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benza N-[4-[4-(4-methoxyphenyl)piperaz…

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)	4.36	-2.5	-13.2	1	7	0	74	490.629	5	↓ MOL2 SDF SMILES Flexibase

8979507

Analogs

8979509
8979382
8979383

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benza N-[4-[4-(2-methoxyphenyl)piperaz…

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)	4.31	-2.66	-13.62	1	7	0	74	490.629	5	↓ MOL2 SDF SMILES Flexibase

8979509

Analogs

8979382
8979383
8979507

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benza N-[4-[4-(2-methoxyphenyl)piperaz…

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)	4.31	-2.22	-13.2	1	7	0	74	490.629	5	↓ MOL2 SDF SMILES Flexibase

8979529

Analogs

8979530
8979396
8979397

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(4-chlorophenyl)piperazi…

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)	4.98	-3.36	-12.34	1	6	0	65	495.048	4	↓ MOL2 SDF SMILES Flexibase

8979530

Analogs

8979396
8979397
8979529

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benzam N-[4-[4-(4-chlorophenyl)piperazi…

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)	4.98	-2.65	-12.16	1	6	0	65	495.048	4	↓ MOL2 SDF SMILES Flexibase

8979535

Analogs

8979537
8979400
8979401

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benza N-[4-[4-(3-methoxyphenyl)piperaz…

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)	4.33	-3.24	-15.04	1	7	0	74	490.629	5	↓ MOL2 SDF SMILES Flexibase

8979537

Analogs

8979400
8979401
8979535

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydrobenzothiazol-2-yl]-4-methyl-benza N-[4-[4-(3-methoxyphenyl)piperaz…

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)	4.33	-2.5	-12.87	1	7	0	74	490.629	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6036
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 = 6036 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6036&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": "6036"        

    });
</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