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

14235955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(Benzothiazol-2-ylamino)-cyclohexanol 4-(Benzothiazol-2-ylamino)-cyclo…

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	4.62	-10.24	2	3	0	45	248.351	2	↓ MOL2 SDF SMILES Flexibase

70111705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazole-2,6-diamine N2-[(1S,2R,4R)-2,4-dimethylcyclo…

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)	3.56	7.24	-6.42	3	3	0	51	275.421	2	↓ MOL2 SDF SMILES Flexibase

70111706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazole-2,6-diamine N2-[(1S,2R,4S)-2,4-dimethylcyclo…

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)	3.56	6.62	-6.8	3	3	0	51	275.421	2	↓ MOL2 SDF SMILES Flexibase

70111707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazole-2,6-diamine N2-[(1R,2R,4R)-2,4-dimethylcyclo…

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)	3.56	6.95	-6.78	3	3	0	51	275.421	2	↓ MOL2 SDF SMILES Flexibase

70111708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazole-2,6-diamine N2-[(1R,2R,4S)-2,4-dimethylcyclo…

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)	3.56	6.71	-6.75	3	3	0	51	275.421	2	↓ MOL2 SDF SMILES Flexibase

70114141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine N-[(1S,2R,4R)-2,4-dimethylcycloh…

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)	4.50	9.37	-5.81	1	2	0	25	260.406	2	↓ MOL2 SDF SMILES Flexibase

70114142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine N-[(1S,2R,4S)-2,4-dimethylcycloh…

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)	4.50	8.74	-6.19	1	2	0	25	260.406	2	↓ MOL2 SDF SMILES Flexibase

70114143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine N-[(1R,2R,4R)-2,4-dimethylcycloh…

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)	4.50	9.07	-6.21	1	2	0	25	260.406	2	↓ MOL2 SDF SMILES Flexibase

70114144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine N-[(1R,2R,4S)-2,4-dimethylcycloh…

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)	4.50	8.83	-6.21	1	2	0	25	260.406	2	↓ MOL2 SDF SMILES Flexibase

70114441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1S,2R,4R)-2,4-dimet…

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)	5.13	9.87	-5.44	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

70114442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1S,2R,4S)-2,4-dimet…

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)	5.13	9.24	-5.65	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

70114443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1R,2R,4R)-2,4-dimet…

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)	5.13	9.57	-5.74	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

70114444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1R,2R,4S)-2,4-dimet…

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)	5.13	9.33	-5.69	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

70114445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1S,2R,4R)-2,4-dimethylcycloh…

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)	4.64	9.43	-5.15	1	2	0	25	278.396	2	↓ MOL2 SDF SMILES Flexibase

70114446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1S,2R,4S)-2,4-dimethylcycloh…

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)	4.64	8.8	-5.49	1	2	0	25	278.396	2	↓ MOL2 SDF SMILES Flexibase

70114447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1R,2R,4R)-2,4-dimethylcycloh…

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)	4.64	9.13	-5.66	1	2	0	25	278.396	2	↓ MOL2 SDF SMILES Flexibase

70114448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1R,2R,4S)-2,4-dimethylcycloh…

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)	4.64	8.89	-5.62	1	2	0	25	278.396	2	↓ MOL2 SDF SMILES Flexibase

70114449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1S,2R,4R)-2,4-dimeth…

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)	5.29	9.97	-4.57	1	2	0	25	339.302	2	↓ MOL2 SDF SMILES Flexibase

70114450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1S,2R,4S)-2,4-dimeth…

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)	5.29	9.34	-4.92	1	2	0	25	339.302	2	↓ MOL2 SDF SMILES Flexibase

70114451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1R,2R,4R)-2,4-dimeth…

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)	5.29	9.67	-5.02	1	2	0	25	339.302	2	↓ MOL2 SDF SMILES Flexibase

70114452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1R,2R,4S)-2,4-dimeth…

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)	5.29	9.43	-4.97	1	2	0	25	339.302	2	↓ MOL2 SDF SMILES Flexibase

70114453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1S,2R,4R)-2,4-dimet…

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)	5.16	9.87	-4.68	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

70114454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1S,2R,4S)-2,4-dimet…

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)	5.16	9.24	-5.03	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

70114455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1R,2R,4R)-2,4-dimet…

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)	5.16	9.57	-5.13	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

70114456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1R,2R,4S)-2,4-dimet…

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)	5.16	9.33	-5.09	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

70114457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-5-methyl-1,3-benzothiazol-2-amine N-[(1R,2S,4S)-2,4-dimethylcycloh…

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	9.92	-6.27	1	2	0	25	274.433	2	↓ MOL2 SDF SMILES Flexibase

70114458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-5-methyl-1,3-benzothiazol-2-amine N-[(1S,2S,4S)-2,4-dimethylcycloh…

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	9.62	-6.08	1	2	0	25	274.433	2	↓ MOL2 SDF SMILES Flexibase

70114459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-5-methyl-1,3-benzothiazol-2-amine N-[(1R,2S,4R)-2,4-dimethylcycloh…

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	9.29	-6.11	1	2	0	25	274.433	2	↓ MOL2 SDF SMILES Flexibase

70114460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-5-methyl-1,3-benzothiazol-2-amine N-[(1S,2S,4R)-2,4-dimethylcycloh…

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	9.39	-6.09	1	2	0	25	274.433	2	↓ MOL2 SDF SMILES Flexibase

37206148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-cyclohexyl-1,3-benzothiazol-2-amine 7-chloro-N-cyclohexyl-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)	4.89	8.2	-6.09	1	2	0	25	266.797	2	↓ MOL2 SDF SMILES Flexibase

37206149

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-cyclohexyl-1,3-benzothiazol-2-amine 5-bromo-N-cyclohexyl-1,3-benzoth…

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)	5.04	8.19	-5.12	1	2	0	25	311.248	2	↓ MOL2 SDF SMILES Flexibase

37206150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-5-fluoro-1,3-benzothiazol-2-amine N-cyclohexyl-5-fluoro-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)	4.40	7.65	-5.7	1	2	0	25	250.342	2	↓ MOL2 SDF SMILES Flexibase

37206151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-cyclohexyl-1,3-benzothiazol-2-amine 5-chloro-N-cyclohexyl-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)	4.91	8.09	-5.22	1	2	0	25	266.797	2	↓ MOL2 SDF SMILES Flexibase

37206576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1S,2R,3R)-2,3-dimet…

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)	5.37	9.11	-5.67	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

37206577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1S,2R,3S)-2,3-dimet…

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)	5.37	9.75	-5.32	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

37206578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1R,2R,3R)-2,3-dimet…

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)	5.37	9.21	-5.69	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

37206579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1R,2R,3S)-2,3-dimet…

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)	5.37	9.42	-5.66	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

37206580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1S,2R,3R)-2,3-dimeth…

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)	5.53	9.21	-4.91	1	2	0	25	339.302	2	↓ MOL2 SDF SMILES Flexibase

37206581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1S,2R,3S)-2,3-dimeth…

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)	5.53	9.85	-4.48	1	2	0	25	339.302	2	↓ MOL2 SDF SMILES Flexibase

37206582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1R,2R,3R)-2,3-dimeth…

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)	5.53	9.31	-4.96	1	2	0	25	339.302	2	↓ MOL2 SDF SMILES Flexibase

37206583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1R,2R,3S)-2,3-dimeth…

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)	5.53	9.53	-4.93	1	2	0	25	339.302	2	↓ MOL2 SDF SMILES Flexibase

37206584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1S,2R,3R)-2,3-dimethylcycloh…

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)	4.88	8.67	-5.48	1	2	0	25	278.396	2	↓ MOL2 SDF SMILES Flexibase

37206585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1S,2R,3S)-2,3-dimethylcycloh…

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)	4.88	9.31	-5.06	1	2	0	25	278.396	2	↓ MOL2 SDF SMILES Flexibase

37206586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1R,2R,3R)-2,3-dimethylcycloh…

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)	4.88	8.77	-5.56	1	2	0	25	278.396	2	↓ MOL2 SDF SMILES Flexibase

37206587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1R,2R,3S)-2,3-dimethylcycloh…

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)	4.88	8.98	-5.55	1	2	0	25	278.396	2	↓ MOL2 SDF SMILES Flexibase

37206588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1S,2R,3R)-2,3-dimet…

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)	5.39	9.11	-4.98	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

37206589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1S,2R,3S)-2,3-dimet…

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)	5.39	9.75	-4.59	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

37206590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1R,2R,3R)-2,3-dimet…

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)	5.39	9.21	-5.09	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

37206591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1R,2R,3S)-2,3-dimet…

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)	5.39	9.42	-5.04	1	2	0	25	294.851	2	↓ MOL2 SDF SMILES Flexibase

37206644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(1S,2R)-2-methylcyclohexyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1S,2R)-2-methylcycl…

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)	5.13	9.27	-5.57	1	2	0	25	280.824	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 235077
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 = 235077 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=235077&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": "235077"        

    });
</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