ZINC 12

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)	5.41	11.8	-47.54	1	6	1	56	436.557	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.41	10.09	-13.84	0	6	0	55	435.549	7	↓ MOL2 SDF SMILES Flexibase

36637329

Analogs

11612417

Draw Identity 99% 90% 80% 70%

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

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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)	5.52	13.34	-52.09	1	5	1	47	424.521	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.52	10.87	-11.43	0	5	0	46	423.513	6	↓ MOL2 SDF SMILES Flexibase

36637405

Analogs

36637739
5115042

Draw Identity 99% 90% 80% 70%

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

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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)	6.27	14.77	-50.36	1	5	1	47	434.585	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.27	12.38	-12.99	0	5	0	46	433.577	7	↓ MOL2 SDF SMILES Flexibase

36637440

Analogs

10066709

Draw Identity 99% 90% 80% 70%

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

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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)	5.38	12.15	-64.82	1	6	1	56	436.557	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.38	9.71	-22.36	0	6	0	55	435.549	7	↓ MOL2 SDF SMILES Flexibase

36637557

Analogs

10067020

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methoxy-naphthalene-2-carboxamide N-(5,6-dimethoxy-1,3-benzothiazo…

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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)	5.00	11.72	-48.21	1	7	1	65	466.583	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.00	10.01	-13.97	0	7	0	64	465.575	8	↓ MOL2 SDF SMILES Flexibase

36637575

Analogs

10067066

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide N-(2-dimethylaminoethyl)-3-metho…

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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)	5.41	12.02	-56.74	1	6	1	56	436.557	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.41	9.71	-20.1	0	6	0	55	435.549	7	↓ MOL2 SDF SMILES Flexibase

36637732

Analogs

5115023

Draw Identity 99% 90% 80% 70%

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

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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)	6.02	14.81	-46.19	1	4	1	38	418.586	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.02	11.71	-10.88	0	4	0	36	417.578	7	↓ MOL2 SDF SMILES Flexibase

36637739

Analogs

36637939
36637405
5115042

Draw Identity 99% 90% 80% 70%

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

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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)	6.55	15.16	-49.81	1	5	1	47	448.612	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.55	12.02	-12.75	0	5	0	46	447.604	8	↓ MOL2 SDF SMILES Flexibase

36637778

Analogs

5115182

Draw Identity 99% 90% 80% 70%

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

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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	14.46	-47.5	1	5	1	47	448.612	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.00	11.27	-11.07	0	5	0	46	447.604	9	↓ MOL2 SDF SMILES Flexibase

36637783

Analogs

36707976
10461178

Draw Identity 99% 90% 80% 70%

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

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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)	6.54	14.73	-51.87	1	6	1	56	478.638	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.54	11.8	-12.55	0	6	0	55	477.63	10	↓ MOL2 SDF SMILES Flexibase

36637851

Analogs

36710298
39712142
39712834
36637351
10461310

Draw Identity 99% 90% 80% 70%

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

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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)	6.78	15.03	-50.52	1	5	1	47	469.03	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.78	12.11	-10.11	0	5	0	46	468.022	8	↓ MOL2 SDF SMILES Flexibase

36637882

Analogs

11612413

Draw Identity 99% 90% 80% 70%

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

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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)	6.38	14.85	-46.07	1	4	1	38	483.455	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.38	12.41	-7.48	0	4	0	36	482.447	7	↓ MOL2 SDF SMILES Flexibase

36637889

Analogs

11612414

Draw Identity 99% 90% 80% 70%

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

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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)	6.91	15.11	-50.44	1	5	1	47	513.481	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.91	12.2	-9.93	0	5	0	46	512.473	8	↓ MOL2 SDF SMILES Flexibase

36637931

Analogs

11612415

Draw Identity 99% 90% 80% 70%

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

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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)	6.49	15.08	-42.99	1	4	1	38	432.613	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.49	13.12	-10.71	0	4	0	36	431.605	8	↓ MOL2 SDF SMILES Flexibase

36637939

Analogs

5115042

Draw Identity 99% 90% 80% 70%

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

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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)	7.02	15.28	-42.46	1	5	1	47	462.639	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.02	13.03	-12.79	0	5	0	46	461.631	9	↓ MOL2 SDF SMILES Flexibase

36637969

Analogs

5115487

Draw Identity 99% 90% 80% 70%

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

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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	14.43	-35.58	1	4	1	38	418.586	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.00	11.91	-15.05	0	4	0	36	417.578	7	↓ MOL2 SDF SMILES Flexibase

36637976

Analogs

39712142
39712834
5115499

Draw Identity 99% 90% 80% 70%

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

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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)	6.53	15.32	-57.76	1	5	1	47	448.612	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.53	12.31	-16.88	0	5	0	46	447.604	8	↓ MOL2 SDF SMILES Flexibase

36638019

Analogs

5115629

Draw Identity 99% 90% 80% 70%

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

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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	14.56	-58.97	1	5	1	47	448.612	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.98	12.17	-18	0	5	0	46	447.604	9	↓ MOL2 SDF SMILES Flexibase

36638025

Analogs

9603963

Draw Identity 99% 90% 80% 70%

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

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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)	6.51	14.23	-53.83	1	6	1	56	478.638	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.51	11.81	-21.34	0	6	0	55	477.63	10	↓ MOL2 SDF SMILES Flexibase

36638051

Analogs

5115711

Draw Identity 99% 90% 80% 70%

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

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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	14.22	-45.3	1	4	1	38	422.549	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.71	11.87	-11.04	0	4	0	36	421.541	7	↓ MOL2 SDF SMILES Flexibase

36638058

Analogs

36707815
36710336
9603987

Draw Identity 99% 90% 80% 70%

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

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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	13.89	-41.57	1	5	1	47	452.575	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.24	11.45	-13.58	0	5	0	46	451.567	8	↓ MOL2 SDF SMILES Flexibase

36638087

Analogs

10065919

Draw Identity 99% 90% 80% 70%

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

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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	14.67	-45.08	1	4	1	38	439.004	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.23	12.46	-10.31	0	4	0	36	437.996	7	↓ MOL2 SDF SMILES Flexibase

36638093

Analogs

10065927

Draw Identity 99% 90% 80% 70%

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

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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	14.03	-34.38	1	5	1	47	469.03	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.76	11.9	-11.97	0	5	0	46	468.022	8	↓ MOL2 SDF SMILES Flexibase

36638217

Analogs

36710704
36638215
10066144

Draw Identity 99% 90% 80% 70%

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

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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)	6.40	15.59	-53.97	1	4	1	38	432.613	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.40	12.46	-14.98	0	4	0	36	431.605	7	↓ MOL2 SDF SMILES Flexibase

36640351

Analogs

36640348
10066181

Draw Identity 99% 90% 80% 70%

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

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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)	6.40	15.8	-52.75	1	4	1	38	432.613	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.40	13.32	-13.37	0	4	0	36	431.605	7	↓ MOL2 SDF SMILES Flexibase

36640366

Analogs

36710514

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxy-naphthalene-2-carboxamide N-(2-diethylaminoethyl)-N-(4,6-d…

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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)	6.93	15.38	-49.67	1	5	1	47	462.639	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.93	12.96	-16.45	0	5	0	46	461.631	8	↓ MOL2 SDF SMILES Flexibase

36640416

Analogs

10066218

Draw Identity 99% 90% 80% 70%

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

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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)	6.40	15.54	-45.1	1	4	1	38	432.613	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.40	12.36	-11.03	0	4	0	36	431.605	7	↓ MOL2 SDF SMILES Flexibase

36640432

Analogs

36710466

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methoxy-naphthalene-2-carboxamide N-(2-diethylaminoethyl)-N-(5,7-d…

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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)	6.93	15.12	-42.63	1	5	1	47	462.639	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.93	12.67	-12.94	0	5	0	46	461.631	8	↓ MOL2 SDF SMILES Flexibase

36640478

Analogs

5121694

Draw Identity 99% 90% 80% 70%

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

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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)	6.01	14.08	-46.17	1	5	1	47	448.612	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.01	10.99	-13.54	0	5	0	46	447.604	8	↓ MOL2 SDF SMILES Flexibase

36640492

Analogs

36710612
9604156

Draw Identity 99% 90% 80% 70%

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

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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)	6.54	14.44	-48.89	1	6	1	56	478.638	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.54	11.31	-15.58	0	6	0	55	477.63	9	↓ MOL2 SDF SMILES Flexibase

36640561

Analogs

5121752

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide N-(2-diethylaminoethyl)-N-(4,6-d…

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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)	5.83	14.3	-44.65	1	4	1	38	440.539	7	↓ MOL2 SDF SMILES Flexibase

36640573

Analogs

36710421
12140837

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxy-naphthalene-2-carboxamide N-(2-diethylaminoethyl)-N-(4,6-d…

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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	13.96	-40.97	1	5	1	47	470.565	8	↓ MOL2 SDF SMILES Flexibase

36643318

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.77	14.16	-53.06	1	4	1	38	424.977	6	↓ MOL2 SDF SMILES Flexibase

36643324

Analogs

36710298
39712865
36643323

Draw Identity 99% 90% 80% 70%

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

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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)	6.30	13.79	-45.77	1	5	1	47	455.003	7	↓ MOL2 SDF SMILES Flexibase

36643349

Analogs

36710370

Draw Identity 99% 90% 80% 70%

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

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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)	5.90	14.26	-53.09	1	4	1	38	469.428	6	↓ MOL2 SDF SMILES Flexibase

36643353

Analogs

36710376
36643352

Draw Identity 99% 90% 80% 70%

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

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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)	6.43	13.88	-45.68	1	5	1	47	499.454	7	↓ MOL2 SDF SMILES Flexibase

36643387

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	6.01	15.08	-50.56	1	4	1	38	418.586	7	↓ MOL2 SDF SMILES Flexibase

36643394

Analogs

36643711
36705158
20587956
10067866

Draw Identity 99% 90% 80% 70%

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

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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)	6.54	14.69	-45.77	1	5	1	47	448.612	8	↓ MOL2 SDF SMILES Flexibase

36643521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide N-(4-chloro-1,3-benzothiazol-2-y…

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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	14.13	-49.5	1	4	1	38	424.977	6	↓ MOL2 SDF SMILES Flexibase

36643533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methoxy-naphthalene-2-carboxamide N-(4-chloro-1,3-benzothiazol-2-y…

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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)	6.28	13.79	-44.19	1	5	1	47	455.003	7	↓ MOL2 SDF SMILES Flexibase

36643593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide N-(5,6-dimethoxy-1,3-benzothiazo…

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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)	4.74	12.86	-55.43	1	6	1	56	450.584	8	↓ MOL2 SDF SMILES Flexibase

36643663

Analogs

36643661

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide N-[3-(dimethylamino)propyl]-N-(4…

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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)	5.92	15.1	-58.11	1	4	1	38	418.586	6	↓ MOL2 SDF SMILES Flexibase

36643671

Analogs

36643711
20590702
5122542

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-methoxy-naphthalene-2-carboxami N-[3-(dimethylamino)propyl]-N-(4…

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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)	6.45	14.78	-52.54	1	5	1	47	448.612	7	↓ MOL2 SDF SMILES Flexibase

36643704

Analogs

36643702
10067855

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide N-[3-(dimethylamino)propyl]-N-(4…

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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)	5.92	15.19	-59.65	1	4	1	38	418.586	6	↓ MOL2 SDF SMILES Flexibase

36643711

Analogs

36710514
39712865
36643394
36643671

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxy-naphthalene-2-carboxami N-[3-(dimethylamino)propyl]-N-(4…

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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)	6.45	14.88	-52.19	1	5	1	47	448.612	7	↓ MOL2 SDF SMILES Flexibase

36643745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide N-[3-(dimethylamino)propyl]-N-(5…

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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)	5.92	14.98	-51.94	1	4	1	38	418.586	6	↓ MOL2 SDF SMILES Flexibase

36643751

Analogs

36710466
36643750

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methoxy-naphthalene-2-carboxami N-[3-(dimethylamino)propyl]-N-(5…

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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)	6.45	14.57	-45.66	1	5	1	47	448.612	7	↓ MOL2 SDF SMILES Flexibase

36643802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide N-(4,6-difluoro-1,3-benzothiazol…

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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)	5.35	13.78	-50.3	1	4	1	38	426.512	6	↓ MOL2 SDF SMILES Flexibase

36643807

Analogs

36710421

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methoxy-naphthalene-2-carboxami N-(4,6-difluoro-1,3-benzothiazol…

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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	13.42	-43.28	1	5	1	47	456.538	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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