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

36637730

Analogs

36707859
5115022

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(6-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.00	15.03	-43.11	1	4	1	38	418.586	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.00	12.61	-12.01	0	4	0	36	417.578	7	↓ MOL2 SDF SMILES Flexibase

36637776

Analogs

36707969

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.98	14.6	-44.75	1	5	1	47	448.612	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.98	12.52	-12.28	0	5	0	46	447.604	9	↓ MOL2 SDF SMILES Flexibase

36637809

Analogs

5115270

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)naphthalene-1-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)	5.71	14.46	-43.95	1	4	1	38	422.549	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.71	12.03	-10	0	4	0	36	421.541	7	↓ MOL2 SDF SMILES Flexibase

36637844

Analogs

36710290
10461291

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)naphthalene-1-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)	6.23	14.9	-43.49	1	4	1	38	439.004	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.23	12.47	-9.72	0	4	0	36	437.996	7	↓ MOL2 SDF SMILES Flexibase

36637880

Analogs

10065687

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)naphthalene-1-carboxamide N-(6-bromo-1,3-benzothiazol-2-yl…

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)	6.36	14.99	-43.43	1	4	1	38	483.455	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.36	12.92	-9.69	0	4	0	36	482.447	7	↓ MOL2 SDF SMILES Flexibase

36637929

Analogs

10065724

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.46	15.87	-42.1	1	4	1	38	432.613	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.46	13.73	-11.83	0	4	0	36	431.605	8	↓ MOL2 SDF SMILES Flexibase

36637967

Analogs

36637969
5115486
5115487

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(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)	5.97	15.37	-49.58	1	4	1	38	418.586	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.97	13.22	-16.75	0	4	0	36	417.578	7	↓ MOL2 SDF SMILES Flexibase

36638017

Analogs

36707735
5115627

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(4-eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.96	14.8	-53.86	1	5	1	47	448.612	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.96	12.39	-20.47	0	5	0	46	447.604	9	↓ MOL2 SDF SMILES Flexibase

36638085

Analogs

10065918

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)naphthalene-1-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)	6.20	14.62	-33.97	1	4	1	38	439.004	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.20	12.52	-11.79	0	4	0	36	437.996	7	↓ MOL2 SDF SMILES Flexibase

36638215

Analogs

36638217
4359382
10066144

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(4,5-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)	6.37	15.85	-49.87	1	4	1	38	432.613	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.37	13.43	-16.02	0	4	0	36	431.605	7	↓ MOL2 SDF SMILES Flexibase

36640348

Analogs

36640351
10066180
10066181

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-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)	6.37	15.95	-49.46	1	4	1	38	432.613	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.37	13.54	-15.59	0	4	0	36	431.605	7	↓ MOL2 SDF SMILES Flexibase

36640413

Analogs

10066217

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(5,7-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)	6.37	15.69	-42.63	1	4	1	38	432.613	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.37	13.61	-12.39	0	4	0	36	431.605	7	↓ MOL2 SDF SMILES Flexibase

36640473

Analogs

5121693

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(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)	5.98	14.33	-42.85	1	5	1	47	448.612	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.98	12.23	-15.1	0	5	0	46	447.604	8	↓ MOL2 SDF SMILES Flexibase

36640558

Analogs

5121751

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-1-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)	5.80	14.52	-41.04	1	4	1	38	440.539	7	↓ MOL2 SDF SMILES Flexibase

36641620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-ethoxy-naphthalene-1-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)	5.20	13.49	-46.19	1	5	1	47	420.558	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.20	11.02	-15.78	0	5	0	46	419.55	7	↓ MOL2 SDF SMILES Flexibase

36641621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethoxy-naphthalene-1-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)	5.96	14.45	-34.86	1	5	1	47	448.612	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.96	12.35	-15.65	0	5	0	46	447.604	9	↓ MOL2 SDF SMILES Flexibase

36641622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-dimethylaminoethyl)-2-ethox…

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)	5.24	12.77	-47.81	1	6	1	56	450.584	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.24	10.3	-16.03	0	6	0	55	449.576	8	↓ MOL2 SDF SMILES Flexibase

36641623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-2-ethoxy…

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)	5.99	13.72	-42.61	1	6	1	56	478.638	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.99	11.63	-15.57	0	6	0	55	477.63	10	↓ MOL2 SDF SMILES Flexibase

36641624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-dimethylaminoethyl)-2-ethox…

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)	5.61	13.41	-45.14	1	6	1	56	464.611	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.61	10.95	-15.94	0	6	0	55	463.603	9	↓ MOL2 SDF SMILES Flexibase

36641625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-2-ethoxy…

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)	6.37	14.67	-42.3	1	6	1	56	492.665	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.37	12.56	-15.32	0	6	0	55	491.657	11	↓ MOL2 SDF SMILES Flexibase

36641626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-ethoxy-naphthalene-1-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)	5.86	13.99	-46.02	1	5	1	47	455.003	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	11.53	-12.77	0	5	0	46	453.995	7	↓ MOL2 SDF SMILES Flexibase

36641627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethoxy-naphthalene-1-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)	6.61	14.98	-40.69	1	5	1	47	483.057	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.61	12.93	-12.91	0	5	0	46	482.049	9	↓ MOL2 SDF SMILES Flexibase

36641628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-dimethylaminoethyl)-2-ethox…

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)	5.34	13.55	-46.28	1	5	1	47	438.548	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.34	11.09	-13.29	0	5	0	46	437.54	7	↓ MOL2 SDF SMILES Flexibase

36641629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-2-ethoxy…

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)	6.10	14.51	-41.41	1	5	1	47	466.602	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.10	12.42	-12.77	0	5	0	46	465.594	9	↓ MOL2 SDF SMILES Flexibase

36641630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-ethoxy-naphthalene-1-carboxamide N-(6-bromo-1,3-benzothiazol-2-yl…

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)	5.99	14.09	-45.9	1	5	1	47	499.454	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.99	11.63	-12.62	0	5	0	46	498.446	7	↓ MOL2 SDF SMILES Flexibase

36641631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethoxy-naphthalene-1-carboxamide N-(6-bromo-1,3-benzothiazol-2-yl…

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)	6.74	15.07	-40.62	1	5	1	47	527.508	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.74	13.03	-12.72	0	5	0	46	526.5	9	↓ MOL2 SDF SMILES Flexibase

36641632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-dimethylaminoethyl)-2-ethox…

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)	5.59	13.65	-54.87	1	6	1	56	464.611	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.59	11.17	-24.31	0	6	0	55	463.603	9	↓ MOL2 SDF SMILES Flexibase

36641633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-2-ethoxy…

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)	6.34	14.86	-51.73	1	6	1	56	492.665	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.34	12.85	-23.98	0	6	0	55	491.657	11	↓ MOL2 SDF SMILES Flexibase

36641634

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-dimethylaminoethyl)-2-ethox…

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)	5.32	13.56	-44.78	1	5	1	47	438.548	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.32	11.09	-16.72	0	5	0	46	437.54	7	↓ MOL2 SDF SMILES Flexibase

36641635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide N-(2-diethylaminoethyl)-2-ethoxy…

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)	6.07	14.51	-34.59	1	5	1	47	466.602	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.07	12.42	-16.56	0	5	0	46	465.594	9	↓ MOL2 SDF SMILES Flexibase

36641636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-ethoxy-naphthalene-1-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)	5.43	13.63	-43.17	1	5	1	47	456.538	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.43	11.16	-12.3	0	5	0	46	455.53	7	↓ MOL2 SDF SMILES Flexibase

36641637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-ethoxy-naphthalene-1-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)	6.19	14.6	-38.08	1	5	1	47	484.592	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.19	12.56	-12.59	0	5	0	46	483.584	9	↓ MOL2 SDF SMILES Flexibase

36641638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-naphthalene-1-carboxamide N-(2-dimethylaminoethyl)-N-(5,7-…

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)	6.00	14.77	-45.5	1	5	1	47	448.612	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.00	12.32	-15.86	0	5	0	46	447.604	7	↓ MOL2 SDF SMILES Flexibase

36641639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(5,7-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)	6.76	15.74	-40.48	1	5	1	47	476.666	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.76	13.72	-16.1	0	5	0	46	475.658	9	↓ MOL2 SDF SMILES Flexibase

36641640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-naphthalene-1-carboxamide N-(2-dimethylaminoethyl)-N-(4,6-…

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)	6.00	15.08	-52.53	1	5	1	47	448.612	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.00	12.6	-19.04	0	5	0	46	447.604	7	↓ MOL2 SDF SMILES Flexibase

36641641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-naphthalene-1-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)	6.76	16.02	-47.3	1	5	1	47	476.666	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.76	14	-18.97	0	5	0	46	475.658	9	↓ MOL2 SDF SMILES Flexibase

36641642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-ethoxy-naphthalene-1-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)	5.22	12.02	-48.68	1	7	1	65	480.61	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.22	9.57	-20.45	0	7	0	64	479.602	9	↓ MOL2 SDF SMILES Flexibase

36641643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(4,7-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)	5.97	13.01	-42.91	1	7	1	65	508.664	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.97	10.96	-20.81	0	7	0	64	507.656	11	↓ MOL2 SDF SMILES Flexibase

36641644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-ethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxam N-(2-dimethylaminoethyl)-2-ethox…

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)	5.61	13.43	-46.16	1	6	1	56	464.611	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.61	10.96	-19.18	0	6	0	55	463.603	8	↓ MOL2 SDF SMILES Flexibase

36641645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-ethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxami N-(2-diethylaminoethyl)-2-ethoxy…

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)	6.37	14.39	-40.46	1	6	1	56	492.665	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.37	12.34	-19.04	0	6	0	55	491.657	10	↓ MOL2 SDF SMILES Flexibase

36641646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-ethoxy-naphthalene-1-carboxam N-(7-chloro-4-methyl-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)	6.24	14.92	-50.75	1	5	1	47	469.03	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.24	12.45	-17.53	0	5	0	46	468.022	7	↓ MOL2 SDF SMILES Flexibase

36641647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethoxy-naphthalene-1-carboxami N-(7-chloro-4-methyl-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)	6.99	15.87	-45.78	1	5	1	47	497.084	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.99	13.79	-17.32	0	5	0	46	496.076	9	↓ MOL2 SDF SMILES Flexibase

36641648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-naphthalene-1-carboxamide N-(2-dimethylaminoethyl)-N-(4,5-…

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)	6.00	14.99	-52.93	1	5	1	47	448.612	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.00	12.51	-19.5	0	5	0	46	447.604	7	↓ MOL2 SDF SMILES Flexibase

36641649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-naphthalene-1-carboxamide N-(2-diethylaminoethyl)-N-(4,5-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)	6.76	15.85	-47.72	1	5	1	47	476.666	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.76	13.85	-19.23	0	5	0	46	475.658	9	↓ MOL2 SDF SMILES Flexibase

36641650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-ethoxy-naphthalene-1-carboxam N-(5-chloro-4-methyl-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)	6.24	14.85	-53.54	1	5	1	47	469.03	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.24	12.37	-17.4	0	5	0	46	468.022	7	↓ MOL2 SDF SMILES Flexibase

36641651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethoxy-naphthalene-1-carboxami N-(5-chloro-4-methyl-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)	6.99	15.78	-48.48	1	5	1	47	497.084	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.99	13.72	-17.12	0	5	0	46	496.076	9	↓ MOL2 SDF SMILES Flexibase

36641652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-ethoxy-naphthalene-1-carboxa 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)	5.84	13.49	-54.7	1	6	1	56	485.029	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.84	11.01	-21.52	0	6	0	55	484.021	8	↓ MOL2 SDF SMILES Flexibase

36641653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-ethoxy-naphthalene-1-carboxam 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)	6.59	14.46	-49.3	1	6	1	56	513.083	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.59	12.35	-21.27	0	6	0	55	512.075	10	↓ MOL2 SDF SMILES Flexibase

36643316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-1-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)	5.74	14.37	-45.34	1	4	1	38	424.977	6	↓ MOL2 SDF SMILES Flexibase

36643347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-1-carboxamide N-(6-bromo-1,3-benzothiazol-2-yl…

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)	5.88	14.46	-45.27	1	4	1	38	469.428	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 103434
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 = 103434 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=103434&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": "103434"        

    });
</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