ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

5778064

Analogs

5778069
6331852
8997551
3559732
76457

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzothiazol-2-yl-2-(2,5-dichlorophenoxy)-acetamide N-benzothiazol-2-yl-2-(2,5-dichl…

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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)	4.64	-1.3	-15.01	1	4	0	51	353.23	4	↓ MOL2 SDF SMILES Flexibase

5778069

Analogs

5778064

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzothiazol-2-yl-2-(3-chlorophenoxy)-acetamide N-benzothiazol-2-yl-2-(3-chlorop…

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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)	4.01	-1.19	-16.29	1	4	0	51	318.785	4	↓ MOL2 SDF SMILES Flexibase

5778071

Analogs

6218189
6331757
6342772
12807894
5745850

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzothiazol-2-yl-2-(2-nitrophenoxy)-acetamide N-benzothiazol-2-yl-2-(2-nitroph…

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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	8.97	-26.37	1	7	0	97	329.337	5	↓ MOL2 SDF SMILES Flexibase

6306227

Analogs

6307451
6356261

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5-dichlorobenzothiazol-2-yl)-2-(4-tert-butylphenoxy)-acetamide 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)	6.32	-0.15	-13.04	1	4	0	51	409.338	5	↓ MOL2 SDF SMILES Flexibase

6306231

Analogs

6307454
6356262

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-6-methoxy-benzothiazol-2-yl)-2-(4-tert-butylphenoxy)-acetamide N-(5-chloro-6-methoxy-benzothiaz…

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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)	5.70	0.17	-18.38	1	5	0	60	404.919	6	↓ MOL2 SDF SMILES Flexibase

36637531

Analogs

10066992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)acetamide 2-(4-chlorophenoxy)-N-(5,6-dimet…

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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)	3.93	11.39	-63.14	1	7	1	65	450.968	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.93	8.92	-14.72	0	7	0	64	449.96	9	↓ MOL2 SDF SMILES Flexibase

36637560

Analogs

36640965
36640967
36640969
36640971
36714978

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-phenoxy-acetamide 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)	3.25	10.87	-61.32	1	7	1	65	416.523	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.25	8.4	-14.66	0	7	0	64	415.515	9	↓ MOL2 SDF SMILES Flexibase

36637833

Analogs

10461275

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-(2-diethylaminoethyl)acetamide 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)	6.32	14.59	-62.13	1	5	1	47	487.86	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.32	12.48	-13.48	0	5	0	46	486.852	9	↓ MOL2 SDF SMILES Flexibase

36637917

Analogs

10065715
20743126

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide 2-(2,4-dichlorophenoxy)-N-(2-die…

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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)	6.56	15.48	-60.98	1	5	1	47	481.469	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.56	13.37	-16.18	0	5	0	46	480.461	10	↓ MOL2 SDF SMILES Flexibase

36638074

Analogs

10065909

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-(2-diethylaminoethyl)acetamide 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)	6.30	14.58	-59.28	1	5	1	47	487.86	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.30	12.23	-10.97	0	5	0	46	486.852	9	↓ MOL2 SDF SMILES Flexibase

36638153

Analogs

36640965
36640967
36640969
36640971
36714978

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenoxy-acetamide N-(2-diethylaminoethyl)-N-(5,6-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)	4.00	12.23	-58.17	1	7	1	65	444.577	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.00	10.07	-15.15	0	7	0	64	443.569	11	↓ MOL2 SDF SMILES Flexibase

36638205

Analogs

10066136
12494654

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(2,4-dichlorophenoxy)-N-(2-die…

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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)	6.47	15.6	-67.89	1	5	1	47	481.469	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.47	13.5	-18.79	0	5	0	46	480.461	9	↓ MOL2 SDF SMILES Flexibase

36640328

Analogs

10066170
12494465

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(2,4-dichlorophenoxy)-N-(2-die…

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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)	6.47	15.69	-67.62	1	5	1	47	481.469	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.47	13.59	-18.43	0	5	0	46	480.461	9	↓ MOL2 SDF SMILES Flexibase

36640395

Analogs

10066208
20743610

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(2,4-dichlorophenoxy)-N-(2-die…

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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)	6.47	15.37	-60.78	1	5	1	47	481.469	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.47	13.25	-15.3	0	5	0	46	480.461	9	↓ MOL2 SDF SMILES Flexibase

36640539

Analogs

10066354

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide 2-(2,4-dichlorophenoxy)-N-(2-die…

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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	14.21	-59.72	1	5	1	47	489.395	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.90	12.1	-13.12	0	5	0	46	488.387	9	↓ MOL2 SDF SMILES Flexibase

36640895

Analogs

36714926

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-2-methyl-propanamide N-(1,3-benzothiazol-2-yl)-2-(4-c…

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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)	5.12	12.36	-53.11	1	5	1	47	418.97	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.12	9.96	-11.28	0	5	0	46	417.962	7	↓ MOL2 SDF SMILES Flexibase

36640897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-2-methyl-propanamide N-(1,3-benzothiazol-2-yl)-2-(4-c…

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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)	5.87	13.9	-49.78	1	5	1	47	447.024	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.87	11.36	-11.48	0	5	0	46	446.016	9	↓ MOL2 SDF SMILES Flexibase

36640899

Analogs

36714938
36714940

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-propanamid 2-(4-chlorophenoxy)-N-(2-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)	5.15	11.51	-54.45	1	6	1	56	448.996	8	↓ MOL2 SDF SMILES Flexibase

36640901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-propanamide 2-(4-chlorophenoxy)-N-(2-diethyl…

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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	13.02	-52.2	1	6	1	56	477.05	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.90	10.6	-11.88	0	6	0	55	476.042	10	↓ MOL2 SDF SMILES Flexibase

36640903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-propanamide 2-(4-chlorophenoxy)-N-(2-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)	5.53	12.33	-54.74	1	6	1	56	463.023	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.53	10.1	-11.74	0	6	0	55	462.015	9	↓ MOL2 SDF SMILES Flexibase

36640905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-propanamide 2-(4-chlorophenoxy)-N-(2-diethyl…

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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	13.95	-52.11	1	6	1	56	491.077	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.28	11.53	-11.62	0	6	0	55	490.069	11	↓ MOL2 SDF SMILES Flexibase

36640907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-2-methyl-propanamide 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	12.74	-53.07	1	5	1	47	453.415	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.77	10.47	-9.31	0	5	0	46	452.407	7	↓ MOL2 SDF SMILES Flexibase

36640909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-2-methyl-propanamide 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)	6.52	14.46	-51.14	1	5	1	47	481.469	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.52	12.08	-8.88	0	5	0	46	480.461	9	↓ MOL2 SDF SMILES Flexibase

36640911

Analogs

36714944

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-propanamide 2-(4-chlorophenoxy)-N-(2-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)	5.26	12.43	-54.5	1	5	1	47	436.96	7	↓ MOL2 SDF SMILES Flexibase

36640913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-propanamide 2-(4-chlorophenoxy)-N-(2-diethyl…

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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	14.02	-51.84	1	5	1	47	465.014	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.01	11.64	-9.19	0	5	0	46	464.006	9	↓ MOL2 SDF SMILES Flexibase

36640915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-2-methyl-propanamide 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	12.84	-53.07	1	5	1	47	497.866	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.90	10.57	-9.18	0	5	0	46	496.858	7	↓ MOL2 SDF SMILES Flexibase

36640917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-2-methyl-propanamide 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)	6.65	14.55	-51.11	1	5	1	47	525.92	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.65	12.18	-8.82	0	5	0	46	524.912	9	↓ MOL2 SDF SMILES Flexibase

36640919

Analogs

36714928

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-propanamide 2-(4-chlorophenoxy)-N-(2-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)	5.50	14.04	-41.54	1	6	1	56	463.023	9	↓ MOL2 SDF SMILES Flexibase

36640921

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-propanamide 2-(4-chlorophenoxy)-N-(2-diethyl…

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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)	6.25	15.33	-39.54	1	6	1	56	491.077	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.25	13.08	-8.21	0	6	0	55	490.069	11	↓ MOL2 SDF SMILES Flexibase

36640923

Analogs

36714932

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Popular Name: 2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-propanamide 2-(4-chlorophenoxy)-N-(2-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)	5.23	12.44	-51.5	1	5	1	47	436.96	7	↓ MOL2 SDF SMILES Flexibase

36640924

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-propanamide 2-(4-chlorophenoxy)-N-(2-diethyl…

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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)	5.99	13.77	-47.89	1	5	1	47	465.014	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.99	11.63	-11.91	0	5	0	46	464.006	9	↓ MOL2 SDF SMILES Flexibase

36640926

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-methyl-propana 2-(4-chlorophenoxy)-N-(4,6-diflu…

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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	12.51	-51.38	1	5	1	47	454.95	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.35	10.11	-8.87	0	5	0	46	453.942	7	↓ MOL2 SDF SMILES Flexibase

36640928

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-propanam 2-(4-chlorophenoxy)-N-(2-diethyl…

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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)	6.10	14.09	-47.53	1	5	1	47	483.004	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.10	11.71	-8.6	0	5	0	46	481.996	9	↓ MOL2 SDF SMILES Flexibase

36640930

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-propana 2-(4-chlorophenoxy)-N-(2-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)	5.92	13.42	-52.29	1	5	1	47	447.024	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.92	11.19	-11.52	0	5	0	46	446.016	7	↓ MOL2 SDF SMILES Flexibase

36640932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-propanam 2-(4-chlorophenoxy)-N-(2-diethyl…

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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)	6.67	15.04	-49.36	1	5	1	47	475.078	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.67	12.87	-10.75	0	5	0	46	474.07	9	↓ MOL2 SDF SMILES Flexibase

36640934

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-propana 2-(4-chlorophenoxy)-N-(2-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)	5.92	14.72	-40	1	5	1	47	447.024	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.92	12.25	-6.67	0	5	0	46	446.016	7	↓ MOL2 SDF SMILES Flexibase

36640936

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-propanam 2-(4-chlorophenoxy)-N-(2-diethyl…

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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)	6.67	16.04	-37.74	1	5	1	47	475.078	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.67	13.83	-6.41	0	5	0	46	474.07	9	↓ MOL2 SDF SMILES Flexibase

36640938

Analogs

36714951

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-methyl-propan 2-(4-chlorophenoxy)-N-(4,7-dimet…

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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)	5.14	10.78	-54.25	1	7	1	65	479.022	9	↓ MOL2 SDF SMILES Flexibase

36640940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-methyl-propana 2-(4-chlorophenoxy)-N-(2-diethyl…

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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)	5.89	12.49	-51	1	7	1	65	507.076	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.89	9.86	-15.72	0	7	0	64	506.068	11	↓ MOL2 SDF SMILES Flexibase

36640942

Analogs

36714953

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methyl-p 2-(4-chlorophenoxy)-N-(2-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)	5.53	12.05	-51.86	1	6	1	56	463.023	8	↓ MOL2 SDF SMILES Flexibase

36640944

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methyl-pr 2-(4-chlorophenoxy)-N-(2-diethyl…

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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	13.87	-48.1	1	6	1	56	491.077	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.28	11.51	-13.2	0	6	0	55	490.069	10	↓ MOL2 SDF SMILES Flexibase

36640946

Analogs

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Popular Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-2-methyl-pr N-(7-chloro-4-methyl-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)	6.15	14.58	-40.08	1	5	1	47	467.442	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.15	12.09	-7.2	0	5	0	46	466.434	7	↓ MOL2 SDF SMILES Flexibase

36640948

Analogs

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Popular Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-2-methyl-pro N-(7-chloro-4-methyl-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)	6.90	15.92	-38.09	1	5	1	47	495.496	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.90	13.8	-7.15	0	5	0	46	494.488	9	↓ MOL2 SDF SMILES Flexibase

36640950

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-propana 2-(4-chlorophenoxy)-N-(2-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)	5.92	14.63	-40.21	1	5	1	47	447.024	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.92	12.15	-6.79	0	5	0	46	446.016	7	↓ MOL2 SDF SMILES Flexibase

36640952

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-propanam 2-(4-chlorophenoxy)-N-(2-diethyl…

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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)	6.67	15.9	-38.27	1	5	1	47	475.078	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.67	13.67	-6.51	0	5	0	46	474.07	9	↓ MOL2 SDF SMILES Flexibase

36640954

Analogs

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Popular Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-2-methyl-pr N-(5-chloro-4-methyl-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)	6.15	14.5	-42.17	1	5	1	47	467.442	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.15	12.01	-6.74	0	5	0	46	466.434	7	↓ MOL2 SDF SMILES Flexibase

36640956

Analogs

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Popular Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-2-methyl-pro N-(5-chloro-4-methyl-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)	6.90	15.84	-40.34	1	5	1	47	495.496	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.90	13.7	-6.2	0	5	0	46	494.488	9	↓ MOL2 SDF SMILES Flexibase

36640958

Analogs

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Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-dimethylaminoethyl)-2-methyl-p N-(7-chloro-4-methoxy-1,3-benzot…

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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)	5.76	13.48	-43.21	1	6	1	56	483.441	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.76	11	-8.05	0	6	0	55	482.433	8	↓ MOL2 SDF SMILES Flexibase

36640960

Analogs

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Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)-2-methyl-pr N-(7-chloro-4-methoxy-1,3-benzot…

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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	14.91	-39.1	1	6	1	56	511.495	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.51	12.65	-7.84	0	6	0	55	510.487	10	↓ MOL2 SDF SMILES Flexibase

36640962

Analogs

36640964

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(2-methoxyphenoxy)acetamide N-(1,3-benzothiazol-2-yl)-N-(2-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)	3.24	11.42	-61.58	1	6	1	56	386.497	8	↓ MOL2 SDF SMILES Flexibase

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