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ZINC Item

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22997235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide N-(1,3-benzothiazol-2-yl)-N-(3-m…

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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)	3.74	9.37	-17.43	0	8	0	91	426.498	7	↓ MOL2 SDF SMILES Flexibase

22997238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide N-(1,3-benzothiazol-2-yl)-N-(3-m…

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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)	3.71	9.37	-23.4	0	8	0	91	426.498	7	↓ MOL2 SDF SMILES Flexibase

22997244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(3-morpholinopropyl)benzamide N-(1,3-benzothiazol-2-yl)-3,4,5-…

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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)	3.41	8.82	-12.1	0	8	0	73	471.579	9	↓ MOL2 SDF SMILES Flexibase

22997247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholinopropyl)benzamide N-(1,3-benzothiazol-2-yl)-4-cyan…

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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)	3.53	9.09	-18.5	0	6	0	69	406.511	6	↓ MOL2 SDF SMILES Flexibase

22997295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(1,3-benzothiazol-2-yl)-3-meth…

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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)	2.62	6.34	-27.68	0	7	0	80	459.593	7	↓ MOL2 SDF SMILES Flexibase

22997298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(1,3-benzothiazol-2-yl)-4-meth…

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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)	2.65	6.23	-23.22	0	7	0	80	459.593	7	↓ MOL2 SDF SMILES Flexibase

22997349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(4-methyl-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)	3.05	6.56	-17.06	0	7	0	80	473.62	7	↓ MOL2 SDF SMILES Flexibase

22997358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-cyano-N-(4-ethyl-1,3-benzothia…

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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)	4.40	10.02	-10.41	0	6	0	69	434.565	7	↓ MOL2 SDF SMILES Flexibase

22997382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide N-(4-ethoxy-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)	4.12	9.67	-20.55	0	9	0	101	470.551	9	↓ MOL2 SDF SMILES Flexibase

22997385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-morpholinopropyl)benzamide N-(4-ethoxy-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)	4.33	9.07	-19.31	0	6	0	55	443.544	8	↓ MOL2 SDF SMILES Flexibase

22997388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-cyano-N-(4-ethoxy-1,3-benzothi…

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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)	3.92	9.39	-21.68	0	7	0	79	450.564	8	↓ MOL2 SDF SMILES Flexibase

22997401

Analogs

36705103
36705111
36705112

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-acetyl-N-(4-chloro-1,3-benzoth…

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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)	4.31	9.59	-23.79	0	6	0	63	457.983	7	↓ MOL2 SDF SMILES Flexibase

22997415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-dimethylamino-N-(3-morpholinopropyl)benzamide 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)	4.51	9.62	-19.45	0	6	0	49	459.015	7	↓ MOL2 SDF SMILES Flexibase

22997421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(3-morpholinopropyl)benzamide 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)	4.78	9.42	-17.29	0	7	0	64	475.998	8	↓ MOL2 SDF SMILES Flexibase

22997425

Analogs

36705118

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide N-(4-fluoro-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)	3.89	8.77	-21.57	0	5	0	46	399.491	6	↓ MOL2 SDF SMILES Flexibase

22997428

Analogs

36705118
20587516

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholinopropyl)benzamide N-(4-fluoro-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)	4.34	9.43	-21.31	0	5	0	46	413.518	6	↓ MOL2 SDF SMILES Flexibase

22997432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide N-(4-fluoro-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)	3.83	8.91	-13.83	0	8	0	91	444.488	7	↓ MOL2 SDF SMILES Flexibase

22997435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-fluoro-N-(4-fluoro-1,3-benzoth…

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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)	4.06	8.86	-19.74	0	5	0	46	417.481	6	↓ MOL2 SDF SMILES Flexibase

22997438

Analogs

36706296

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 3-fluoro-N-(4-fluoro-1,3-benzoth…

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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)	4.03	8.8	-12.59	0	5	0	46	417.481	6	↓ MOL2 SDF SMILES Flexibase

22997443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(3-morpholinopropyl)benzamide N-(4-fluoro-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)	3.52	6.94	-13.25	0	8	0	73	489.569	9	↓ MOL2 SDF SMILES Flexibase

22997446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-cyano-N-(4-fluoro-1,3-benzothi…

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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)	3.65	9.17	-22.19	0	6	0	69	424.501	6	↓ MOL2 SDF SMILES Flexibase

22997495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(4-fluoro-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)	3.15	7.33	-29.52	0	7	0	80	477.583	7	↓ MOL2 SDF SMILES Flexibase

22997499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 2-ethylsulfonyl-N-(4-fluoro-1,3-…

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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)	3.53	8.24	-29.81	0	7	0	80	491.61	8	↓ MOL2 SDF SMILES Flexibase

22997502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(4-fluoro-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)	2.74	6.24	-22.51	0	7	0	80	477.583	7	↓ MOL2 SDF SMILES Flexibase

22997505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(4-fluoro-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)	2.76	6.3	-28.99	0	7	0	80	477.583	7	↓ MOL2 SDF SMILES Flexibase

22997512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide N-(5-methoxy-1,3-benzothiazol-2-…

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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)	3.74	8.79	-25.97	0	9	0	101	456.524	8	↓ MOL2 SDF SMILES Flexibase

22997548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide N-(6-methyl-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)	4.14	9.7	-13.04	0	8	0	91	440.525	7	↓ MOL2 SDF SMILES Flexibase

22997551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 3,4,5-trimethoxy-N-(6-methyl-1,3…

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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)	3.83	7.51	-11.33	0	8	0	73	485.606	9	↓ MOL2 SDF SMILES Flexibase

22997608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide N-(6-methoxy-1,3-benzothiazol-2-…

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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)	3.74	8.35	-13.88	0	9	0	101	456.524	8	↓ MOL2 SDF SMILES Flexibase

22997645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 3-ethylsulfonyl-N-(6-methoxy-1,3…

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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)	3.03	6.36	-22.41	0	8	0	89	503.646	9	↓ MOL2 SDF SMILES Flexibase

22997648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(6-methoxy-1,3-benzothiazol-2-…

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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)	2.66	5.27	-18.22	0	8	0	89	489.619	8	↓ MOL2 SDF SMILES Flexibase

22997654

Analogs

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Popular Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-morpholinopropyl)benzamide N-(6-ethoxy-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)	4.33	8.72	-10.01	0	6	0	55	443.544	8	↓ MOL2 SDF SMILES Flexibase

22997677

Analogs

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Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholinopropyl)benzamide 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)	3.69	7.17	-17.56	0	7	0	80	494.038	7	↓ MOL2 SDF SMILES Flexibase

22997680

Analogs

36706029
20588805

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide N-(6-fluoro-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)	3.92	8.96	-14.13	0	5	0	46	399.491	6	↓ MOL2 SDF SMILES Flexibase

22997683

Analogs

36706029

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholinopropyl)benzamide N-(6-fluoro-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)	4.37	9.55	-14.44	0	5	0	46	413.518	6	↓ MOL2 SDF SMILES Flexibase

22997686

Analogs

36706635
20588861

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholinopropyl)benzamide N-(6-fluoro-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)	4.34	9.55	-14.73	0	5	0	46	413.518	6	↓ MOL2 SDF SMILES Flexibase

22997689

Analogs

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Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide N-(6-fluoro-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)	3.88	9.56	-15.42	0	8	0	91	444.488	7	↓ MOL2 SDF SMILES Flexibase

22997693

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 3-fluoro-N-(6-fluoro-1,3-benzoth…

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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)	4.06	8.79	-9.56	0	5	0	46	417.481	6	↓ MOL2 SDF SMILES Flexibase

22997696

Analogs

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Popular Name: 4-cyano-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-cyano-N-(6-fluoro-1,3-benzothi…

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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)	3.67	9.29	-16.37	0	6	0	69	424.501	6	↓ MOL2 SDF SMILES Flexibase

22997698

Analogs

36706033
20588827
20588912

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-acetyl-N-(6-fluoro-1,3-benzoth…

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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)	3.82	9.28	-19.56	0	6	0	63	441.528	7	↓ MOL2 SDF SMILES Flexibase

22997745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(6-fluoro-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)	3.18	6.73	-17.82	0	7	0	80	477.583	7	↓ MOL2 SDF SMILES Flexibase

22997747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(6-fluoro-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)	2.76	6.24	-19.72	0	7	0	80	477.583	7	↓ MOL2 SDF SMILES Flexibase

22997750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(3-morpholinopropyl)benzamide N-(6-fluoro-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)	2.79	6.42	-20.94	0	7	0	80	477.583	7	↓ MOL2 SDF SMILES Flexibase

22997753

Analogs

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Popular Name: 4-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-ethylsulfonyl-N-(6-fluoro-1,3-…

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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)	3.16	7.3	-20.14	0	7	0	80	491.61	8	↓ MOL2 SDF SMILES Flexibase

22997759

Analogs

20589108

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-cyano-N-(4,6-difluoro-1,3-benz…

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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)	3.76	9.36	-18.67	0	6	0	69	442.491	6	↓ MOL2 SDF SMILES Flexibase

22997761

Analogs

36706058
36706067
20589108
20589214

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-acetyl-N-(4,6-difluoro-1,3-ben…

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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)	3.91	9.35	-22.3	0	6	0	63	459.518	7	↓ MOL2 SDF SMILES Flexibase

22997790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(3-morpholinopropyl)benzamide 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)	4.38	9.05	-22.69	0	7	0	64	477.533	8	↓ MOL2 SDF SMILES Flexibase

22997795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholinopropyl)benzamide 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)	3.27	7.4	-25.9	0	7	0	80	495.573	7	↓ MOL2 SDF SMILES Flexibase

22997825

Analogs

20589865

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(3-morpholinopropyl)benzamide N-(4,7-dimethyl-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)	4.21	8.25	-11.7	0	8	0	73	499.633	9	↓ MOL2 SDF SMILES Flexibase

22997828

Analogs

20589805
20589809

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide 4-cyano-N-(4,7-dimethyl-1,3-benz…

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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)	4.33	10.36	-14.83	0	6	0	69	434.565	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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