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ZINC Item

Suppliers, Protomers, & Similar Substances

49430764

Analogs

3939658

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]ethanone 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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)	1.60	4.9	-10.91	0	4	0	42	276.361	2	↓ MOL2 SDF SMILES Flexibase

49430766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]butan-1-one 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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)	3.00	6.5	-11.85	0	4	0	42	304.415	4	↓ MOL2 SDF SMILES Flexibase

49430768

Analogs

3939658

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]propan-1-one 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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)	2.44	5.74	-12.13	0	4	0	42	290.388	3	↓ MOL2 SDF SMILES Flexibase

49430770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]-2-methyl-propan-1-one 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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)	2.68	6.24	-11.66	0	4	0	42	304.415	3	↓ MOL2 SDF SMILES Flexibase

49430772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]pentan-1-one 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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)	3.50	7.28	-11.93	0	4	0	42	318.442	5	↓ MOL2 SDF SMILES Flexibase

49430774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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)	3.26	6.38	-11.7	0	4	0	42	318.442	3	↓ MOL2 SDF SMILES Flexibase

49430776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]-3-methyl-butan-1-one 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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)	3.21	7.11	-11.34	0	4	0	42	318.442	4	↓ MOL2 SDF SMILES Flexibase

49430778

Analogs

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Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]-3,3-dimethyl-butan-1-one 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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	7.62	-10.41	0	4	0	42	332.469	4	↓ MOL2 SDF SMILES Flexibase

49430780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]-2-ethyl-butan-1-one 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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	7.5	-11.23	0	4	0	42	332.469	5	↓ MOL2 SDF SMILES Flexibase

49430782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yloxy)-1-piperidyl]-2-propyl-pentan-1-one 1-[4-(1,3-benzothiazol-2-yloxy)-…

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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)	4.81	8.76	-11.44	0	4	0	42	360.523	7	↓ MOL2 SDF SMILES Flexibase

49430802

Analogs

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Popular Name: ethyl 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)	2.03	7.44	-11.68	0	6	0	69	362.451	7	↓ MOL2 SDF SMILES Flexibase

49431499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]ethanone 1-[4-[(4-methyl-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)	2.00	5.34	-14.41	0	4	0	42	290.388	2	↓ MOL2 SDF SMILES Flexibase

49431501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]butan-1-one 1-[4-[(4-methyl-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)	3.40	6.93	-13.96	0	4	0	42	318.442	4	↓ MOL2 SDF SMILES Flexibase

49431503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]propan-1-one 1-[4-[(4-methyl-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)	2.84	6.17	-14.14	0	4	0	42	304.415	3	↓ MOL2 SDF SMILES Flexibase

49431505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]propan-1-one 2-methyl-1-[4-[(4-methyl-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)	3.08	6.63	-13.89	0	4	0	42	318.442	3	↓ MOL2 SDF SMILES Flexibase

49431507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]pentan-1-one 1-[4-[(4-methyl-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)	3.90	7.71	-13.99	0	4	0	42	332.469	5	↓ MOL2 SDF SMILES Flexibase

49431509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]propan-1-one 2,2-dimethyl-1-[4-[(4-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)	3.66	6.75	-12.81	0	4	0	42	332.469	3	↓ MOL2 SDF SMILES Flexibase

49431511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]butan-1-one 3-methyl-1-[4-[(4-methyl-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)	3.61	7.54	-13.4	0	4	0	42	332.469	4	↓ MOL2 SDF SMILES Flexibase

49431513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]butan-1-one 3,3-dimethyl-1-[4-[(4-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)	3.93	8.05	-12.49	0	4	0	42	346.496	4	↓ MOL2 SDF SMILES Flexibase

49431515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]butan-1-one 2-ethyl-1-[4-[(4-methyl-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)	4.09	7.66	-13.52	0	4	0	42	346.496	5	↓ MOL2 SDF SMILES Flexibase

49431517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-methyl-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2-propyl-pentan-1-one 1-[4-[(4-methyl-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)	5.21	9.19	-13.49	0	4	0	42	374.55	7	↓ MOL2 SDF SMILES Flexibase

49431537

Analogs

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Popular Name: ethyl 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)	2.43	7.88	-13.85	0	6	0	69	376.478	7	↓ MOL2 SDF SMILES Flexibase

49432236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]ethanone 1-[4-[(4-fluoro-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)	1.72	4.97	-12.28	0	4	0	42	294.351	2	↓ MOL2 SDF SMILES Flexibase

49432238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]butan-1-one 1-[4-[(4-fluoro-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)	3.11	6.57	-13.75	0	4	0	42	322.405	4	↓ MOL2 SDF SMILES Flexibase

49432240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]propan-1-one 1-[4-[(4-fluoro-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)	2.55	5.81	-14.01	0	4	0	42	308.378	3	↓ MOL2 SDF SMILES Flexibase

49432243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2-methyl-propan-1-one 1-[4-[(4-fluoro-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)	2.80	6.31	-13.58	0	4	0	42	322.405	3	↓ MOL2 SDF SMILES Flexibase

49432245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]pentan-1-one 1-[4-[(4-fluoro-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)	3.62	7.35	-13.83	0	4	0	42	336.432	5	↓ MOL2 SDF SMILES Flexibase

49432247

Analogs

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Popular Name: 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[(4-fluoro-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)	3.38	6.45	-13.59	0	4	0	42	336.432	3	↓ MOL2 SDF SMILES Flexibase

49432249

Analogs

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Popular Name: 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-3-methyl-butan-1-one 1-[4-[(4-fluoro-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)	3.33	7.18	-13.3	0	4	0	42	336.432	4	↓ MOL2 SDF SMILES Flexibase

49432251

Analogs

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Popular Name: 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-3,3-dimethyl-butan-1-one 1-[4-[(4-fluoro-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)	3.65	7.69	-12.35	0	4	0	42	350.459	4	↓ MOL2 SDF SMILES Flexibase

49432253

Analogs

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Popular Name: 2-ethyl-1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]butan-1-one 2-ethyl-1-[4-[(4-fluoro-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)	3.80	7.3	-13.46	0	4	0	42	350.459	5	↓ MOL2 SDF SMILES Flexibase

49432255

Analogs

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Popular Name: 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2-propyl-pentan-1-one 1-[4-[(4-fluoro-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)	4.92	9.12	-13.11	0	4	0	42	378.513	7	↓ MOL2 SDF SMILES Flexibase

49432276

Analogs

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Popular Name: ethyl 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)	2.15	7.52	-13.4	0	6	0	69	380.441	7	↓ MOL2 SDF SMILES Flexibase

49432670

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]ethanone 1-[4-[(4-chloro-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)	2.23	5.44	-11.04	0	4	0	42	310.806	2	↓ MOL2 SDF SMILES Flexibase

49432671

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]butan-1-one 1-[4-[(4-chloro-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)	3.63	7.04	-12.36	0	4	0	42	338.86	4	↓ MOL2 SDF SMILES Flexibase

49432672

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]propan-1-one 1-[4-[(4-chloro-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)	3.07	6.27	-12.6	0	4	0	42	324.833	3	↓ MOL2 SDF SMILES Flexibase

49432673

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2-methyl-propan-1-one 1-[4-[(4-chloro-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)	3.31	6.78	-12.23	0	4	0	42	338.86	3	↓ MOL2 SDF SMILES Flexibase

49432674

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]pentan-1-one 1-[4-[(4-chloro-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)	4.13	7.82	-12.4	0	4	0	42	352.887	5	↓ MOL2 SDF SMILES Flexibase

49432675

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[(4-chloro-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)	3.89	6.92	-12.15	0	4	0	42	352.887	3	↓ MOL2 SDF SMILES Flexibase

49432676

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-3-methyl-butan-1-one 1-[4-[(4-chloro-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)	3.84	7.64	-11.87	0	4	0	42	352.887	4	↓ MOL2 SDF SMILES Flexibase

49432677

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-3,3-dimethyl-butan-1-one 1-[4-[(4-chloro-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)	4.16	8.16	-10.9	0	4	0	42	366.914	4	↓ MOL2 SDF SMILES Flexibase

49432678

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2-ethyl-butan-1-one 1-[4-[(4-chloro-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)	4.32	8.04	-11.76	0	4	0	42	366.914	5	↓ MOL2 SDF SMILES Flexibase

49432679

Analogs

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Popular Name: 1-[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2-propyl-pentan-1-one 1-[4-[(4-chloro-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)	5.44	9.29	-12.02	0	4	0	42	394.968	7	↓ MOL2 SDF SMILES Flexibase

49432689

Analogs

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Popular Name: ethyl 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)	2.66	7.98	-12	0	6	0	69	396.896	7	↓ MOL2 SDF SMILES Flexibase

49432986

Analogs

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Popular Name: 1-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]ethanone 1-[4-[(5-methoxy-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)	1.63	3.91	-15.71	0	5	0	52	306.387	3	↓ MOL2 SDF SMILES Flexibase

49432987

Analogs

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Popular Name: 1-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]butan-1-one 1-[4-[(5-methoxy-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)	3.03	5.45	-15.14	0	5	0	52	334.441	5	↓ MOL2 SDF SMILES Flexibase

49432988

Analogs

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Popular Name: 1-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]propan-1-one 1-[4-[(5-methoxy-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)	2.47	4.68	-15.36	0	5	0	52	320.414	4	↓ MOL2 SDF SMILES Flexibase

49432989

Analogs

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Popular Name: 1-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2-methyl-propan-1-one 1-[4-[(5-methoxy-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)	2.72	5.19	-14.81	0	5	0	52	334.441	4	↓ MOL2 SDF SMILES Flexibase

49432990

Analogs

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Popular Name: 1-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]pentan-1-one 1-[4-[(5-methoxy-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)	3.54	6.23	-15.24	0	5	0	52	348.468	6	↓ MOL2 SDF SMILES Flexibase

49432991

Analogs

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Popular Name: 1-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[(5-methoxy-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)	3.30	5.33	-15.07	0	5	0	52	348.468	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 570645
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 570645 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=570645&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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