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ZINC Item

Suppliers, Protomers, & Similar Substances

5778081

Analogs

7767947
8974819
97652

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzothiazol-2-yl-2,3,6-trichloro-benzamide N-benzothiazol-2-yl-2,3,6-trichl…

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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)	5.28	-1.86	-10.95	1	3	0	41	357.649	2	↓ MOL2 SDF SMILES Flexibase

9707682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylsulfonyl-N-(4-methoxy-6-nitro-benzothiazol-2-yl)-benzamide 2-ethylsulfonyl-N-(4-methoxy-6-n…

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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)	2.94	-3.52	-18.09	1	9	0	131	421.456	6	↓ MOL2 SDF SMILES Flexibase

9707702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5-dichlorobenzothiazol-2-yl)-2-ethylsulfonyl-benzamide N-(4,5-dichlorobenzothiazol-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)	4.28	-4.16	-23.7	1	5	0	76	415.323	4	↓ MOL2 SDF SMILES Flexibase

9707703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,7-dichlorobenzothiazol-2-yl)-2-ethylsulfonyl-benzamide N-(4,7-dichlorobenzothiazol-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)	4.28	-4.18	-21.33	1	5	0	76	415.323	4	↓ MOL2 SDF SMILES Flexibase

9707714

Analogs

10253347

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromobenzothiazol-2-yl)-3-ethylsulfonyl-benzamide N-(6-bromobenzothiazol-2-yl)-3-e…

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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)	3.39	-5.35	-21.44	1	5	0	76	425.329	4	↓ MOL2 SDF SMILES Flexibase

9707747

Analogs

9622173

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromobenzothiazol-2-yl)-3-ethylsulfonyl-benzamide N-(4-bromobenzothiazol-2-yl)-3-e…

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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)	3.37	-5.31	-25.26	1	5	0	76	425.329	4	↓ MOL2 SDF SMILES Flexibase

9707750

Analogs

10253509

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromobenzothiazol-2-yl)-4-ethylsulfonyl-benzamide N-(6-bromobenzothiazol-2-yl)-4-e…

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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)	3.42	-5.48	-15.47	1	5	0	76	425.329	4	↓ MOL2 SDF SMILES Flexibase

9707751

Analogs

9622721

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethylsulfonyl-N-(4-methoxy-6-nitro-benzothiazol-2-yl)-benzamide 4-ethylsulfonyl-N-(4-methoxy-6-n…

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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)	2.55	-4.18	-17.48	1	9	0	131	421.456	6	↓ MOL2 SDF SMILES Flexibase

9707779

Analogs

9623359

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5-dichlorobenzothiazol-2-yl)-4-ethylsulfonyl-benzamide N-(4,5-dichlorobenzothiazol-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)	3.89	-4.85	-22.46	1	5	0	76	415.323	4	↓ MOL2 SDF SMILES Flexibase

9707780

Analogs

9623365

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,7-dichlorobenzothiazol-2-yl)-4-ethylsulfonyl-benzamide N-(4,7-dichlorobenzothiazol-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)	3.89	-4.86	-20.41	1	5	0	76	415.323	4	↓ MOL2 SDF SMILES Flexibase

9707781

Analogs

9623830

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromobenzothiazol-2-yl)-4-ethylsulfonyl-benzamide N-(4-bromobenzothiazol-2-yl)-4-e…

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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)	3.39	-5.44	-17.43	1	5	0	76	425.329	4	↓ MOL2 SDF SMILES Flexibase

9707922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzothiazol-2-yl-N-(3-dimethylaminopropyl)-3-ethylsulfonyl-benzamide N-benzothiazol-2-yl-N-(3-dimethy…

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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	-2.44	-70.21	1	6	1	71	432.591	8	↓ MOL2 SDF SMILES Flexibase

9707925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-N-(6-methylbenzothiazol-2-yl)-2-methylsulfonyl-benzamide N-(3-dimethylaminopropyl)-N-(6-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)	3.62	-2.01	-60.99	1	6	1	71	432.591	7	↓ MOL2 SDF SMILES Flexibase

9707927

Analogs

9384950

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-ethylbenzothiazol-2-yl)-3-methylsulfonyl-benzamide 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)	3.40	-2.34	-60.5	1	6	1	71	432.591	7	↓ MOL2 SDF SMILES Flexibase

9707928

Analogs

12498344

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-ethylbenzothiazol-2-yl)-4-methylsulfonyl-benzamide 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)	4.17	-2.11	-54	1	6	1	71	460.645	9	↓ MOL2 SDF SMILES Flexibase

9707932

Analogs

9385071

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-4-ethylsulfonyl-N-(6-methoxybenzothiazol-2-yl)-benzamide N-(2-dimethylaminoethyl)-4-ethyl…

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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)	2.94	-2.82	-57.03	1	7	1	81	448.59	8	↓ MOL2 SDF SMILES Flexibase

9707933

Analogs

9385021

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-3-ethylsulfonyl-N-(6-methoxybenzothiazol-2-yl)-benzamide N-(2-diethylaminoethyl)-3-ethyls…

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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	-2.67	-57.92	1	7	1	81	476.644	10	↓ MOL2 SDF SMILES Flexibase

9707935

Analogs

36694353

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-ethoxybenzothiazol-2-yl)-3-ethylsulfanyl-benzamide 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)	4.85	0.54	-54.41	1	5	1	46	430.619	9	↓ MOL2 SDF SMILES Flexibase

9707936

Analogs

9385203

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-ethoxybenzothiazol-2-yl)-3-ethylsulfonyl-benzamide 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)	3.29	-2.56	-56.21	1	7	1	81	462.617	9	↓ MOL2 SDF SMILES Flexibase

9707937

Analogs

9707938

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-ethoxybenzothiazol-2-yl)-3-methylsulfonyl-benzamide 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)	2.91	-2.53	-57.14	1	7	1	81	448.59	8	↓ MOL2 SDF SMILES Flexibase

9707938

Analogs

9707937

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-ethoxybenzothiazol-2-yl)-3-methylsulfonyl-benzamide 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)	3.67	-2.47	-54.24	1	7	1	81	476.644	10	↓ MOL2 SDF SMILES Flexibase

9707939

Analogs

9385439

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(6-fluorobenzothiazol-2-yl)-benzamide N-(2-dimethylaminoethyl)-2-ethyl…

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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)	3.44	-1.14	-70.04	1	6	1	71	436.554	7	↓ MOL2 SDF SMILES Flexibase

9707940

Analogs

9385447

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-3-ethylsulfonyl-N-(6-fluorobenzothiazol-2-yl)-benzamide N-(2-dimethylaminoethyl)-3-ethyl…

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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)	3.02	-1.85	-55.55	1	6	1	71	436.554	7	↓ MOL2 SDF SMILES Flexibase

9707941

Analogs

9707942

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-4-ethylsulfonyl-N-(6-fluorobenzothiazol-2-yl)-benzamide N-(2-dimethylaminoethyl)-4-ethyl…

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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	-1.94	-62.96	1	6	1	71	436.554	7	↓ MOL2 SDF SMILES Flexibase

9707942

Analogs

9707941

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-4-ethylsulfonyl-N-(6-fluorobenzothiazol-2-yl)-benzamide N-(2-diethylaminoethyl)-4-ethyls…

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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)	3.80	-1.83	-58.82	1	6	1	71	464.608	9	↓ MOL2 SDF SMILES Flexibase

9707944

Analogs

9385643

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-methylsulfonyl-N-(6-nitrobenzothiazol-2-yl)-benzamide N-(2-dimethylaminoethyl)-2-methy…

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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)	2.86	-2.16	-66.39	1	9	1	117	449.534	7	↓ MOL2 SDF SMILES Flexibase

9707945

Analogs

9385661

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-3-ethylsulfonyl-N-(6-nitrobenzothiazol-2-yl)-benzamide N-(2-dimethylaminoethyl)-3-ethyl…

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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)	2.82	-2.07	-60.54	1	9	1	117	463.561	8	↓ MOL2 SDF SMILES Flexibase

9707946

Analogs

9385668

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-4-ethylsulfonyl-N-(6-nitrobenzothiazol-2-yl)-benzamide N-(2-dimethylaminoethyl)-4-ethyl…

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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)	2.84	-2.3	-61.51	1	9	1	117	463.561	8	↓ MOL2 SDF SMILES Flexibase

9707947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-3-ethylsulfonyl-N-(6-nitrobenzothiazol-2-yl)-benzamide N-(3-dimethylaminopropyl)-3-ethy…

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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)	3.09	-2.04	-65.06	1	9	1	117	477.588	9	↓ MOL2 SDF SMILES Flexibase

9707948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-4-methylsulfonyl-N-(6-nitrobenzothiazol-2-yl)-benzamide N-(3-dimethylaminopropyl)-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)	2.74	-2.01	-64.78	1	9	1	117	463.561	8	↓ MOL2 SDF SMILES Flexibase

9707949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-4-ethylsulfonyl-N-(6-nitrobenzothiazol-2-yl)-benzamide N-(3-dimethylaminopropyl)-4-ethy…

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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)	3.11	-2.04	-62.22	1	9	1	117	477.588	9	↓ MOL2 SDF SMILES Flexibase

9707951

Analogs

9385775

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-4-ethylsulfonyl-N-(4-methylbenzothiazol-2-yl)-benzamide N-(2-dimethylaminoethyl)-4-ethyl…

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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)	3.31	-2.34	-65.41	1	6	1	71	432.591	7	↓ MOL2 SDF SMILES Flexibase

9707954

Analogs

9385887

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-ethylbenzothiazol-2-yl)-3-ethylsulfonyl-benzamide N-(2-dimethylaminoethyl)-N-(4-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)	3.75	-2.19	-68.09	1	6	1	71	446.618	8	↓ MOL2 SDF SMILES Flexibase

9707956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-2-ethylsulfonyl-N-(4-methoxybenzothiazol-2-yl)-benzamide N-(3-dimethylaminopropyl)-2-ethy…

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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)	3.58	-1.7	-73.23	1	7	1	81	462.617	9	↓ MOL2 SDF SMILES Flexibase

9707957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-N-(4-ethoxybenzothiazol-2-yl)-4-ethylsulfonyl-benzamide N-(3-dimethylaminopropyl)-N-(4-e…

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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)	3.56	-2.41	-68.2	1	7	1	81	476.644	10	↓ MOL2 SDF SMILES Flexibase

9707958

Analogs

12498456

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorobenzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-methylsulfonyl-benzamide N-(4-chlorobenzothiazol-2-yl)-N-…

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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)	3.55	-2.32	-55.24	1	6	1	71	438.982	6	↓ MOL2 SDF SMILES Flexibase

9707960

Analogs

9386263

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorobenzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-methylsulfonyl-benzamide N-(4-chlorobenzothiazol-2-yl)-N-…

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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	-2.7	-57.29	1	6	1	71	467.036	8	↓ MOL2 SDF SMILES Flexibase

9707963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorobenzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2-methylsulfonyl-benzamide N-(4-chlorobenzothiazol-2-yl)-N-…

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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	-1.81	-72.52	1	6	1	71	453.009	7	↓ MOL2 SDF SMILES Flexibase

9707964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorobenzothiazol-2-yl)-N-(3-dimethylaminopropyl)-3-methylsulfonyl-benzamide N-(4-chlorobenzothiazol-2-yl)-N-…

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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	-2.61	-59.73	1	6	1	71	453.009	7	↓ MOL2 SDF SMILES Flexibase

9707966

Analogs

12498467

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(4-fluorobenzothiazol-2-yl)-benzamide N-(2-dimethylaminoethyl)-2-ethyl…

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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	-1.2	-75.35	1	6	1	71	436.554	7	↓ MOL2 SDF SMILES Flexibase

9707967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-3-ethylsulfonyl-N-(4-fluorobenzothiazol-2-yl)-benzamide N-(3-dimethylaminopropyl)-3-ethy…

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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	-1.85	-60.71	1	6	1	71	450.581	8	↓ MOL2 SDF SMILES Flexibase

9707968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-N-(4-fluorobenzothiazol-2-yl)-3-methylsulfonyl-benzamide N-(3-dimethylaminopropyl)-N-(4-f…

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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)	2.89	-1.79	-53.43	1	6	1	71	436.554	7	↓ MOL2 SDF SMILES Flexibase

9707969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-4-ethylsulfonyl-N-(4-fluorobenzothiazol-2-yl)-benzamide N-(3-dimethylaminopropyl)-4-ethy…

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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)	3.29	-1.7	-71.5	1	6	1	71	450.581	8	↓ MOL2 SDF SMILES Flexibase

9707971

Analogs

9386581

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluorobenzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonyl-benzamide N-(4,6-difluorobenzothiazol-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)	3.11	-0.98	-66.26	1	6	1	71	454.544	7	↓ MOL2 SDF SMILES Flexibase

9707972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluorobenzothiazol-2-yl)-N-(3-dimethylaminopropyl)-3-ethylsulfonyl-benzamide N-(4,6-difluorobenzothiazol-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)	3.38	-0.95	-65.49	1	6	1	71	468.571	8	↓ MOL2 SDF SMILES Flexibase

9707973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluorobenzothiazol-2-yl)-N-(3-dimethylaminopropyl)-3-methylsulfonyl-benzamide N-(4,6-difluorobenzothiazol-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)	3.01	-0.94	-70.98	1	6	1	71	454.544	7	↓ MOL2 SDF SMILES Flexibase

9707974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluorobenzothiazol-2-yl)-N-(3-dimethylaminopropyl)-4-methylsulfonyl-benzamide N-(4,6-difluorobenzothiazol-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)	3.03	-0.94	-66.63	1	6	1	71	454.544	7	↓ MOL2 SDF SMILES Flexibase

9707977

Analogs

9386712

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(5,7-dimethylbenzothiazol-2-yl)-3-methylsulfonyl-benzamide N-(2-dimethylaminoethyl)-N-(5,7-…

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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)	3.31	-1.9	-54.77	1	6	1	71	432.591	6	↓ MOL2 SDF SMILES Flexibase

9707978

Analogs

9386673

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(5,7-dimethylbenzothiazol-2-yl)-4-methylsulfonyl-benzamide 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)	4.08	-1.93	-56.91	1	6	1	71	460.645	8	↓ MOL2 SDF SMILES Flexibase

9707980

Analogs

9386861

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethylbenzothiazol-2-yl)-4-methylsulfonyl-benzamide N-(2-dimethylaminoethyl)-N-(4,6-…

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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)	3.33	-1.98	-65.58	1	6	1	71	432.591	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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