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ZINC Item

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54861397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(3S,5R)-3,5-dimethyl-1-piperi…

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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)	4.19	9.19	-9.04	0	3	0	33	292.448	1	↓ MOL2 SDF SMILES Flexibase

54861399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(3S,5S)-3,5-dimethyl-1-piperi…

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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)	4.19	9.37	-9.12	0	3	0	33	292.448	1	↓ MOL2 SDF SMILES Flexibase

54861401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(3R,5R)-3,5-dimethyl-1-piperi…

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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)	4.19	9.36	-9.29	0	3	0	33	292.448	1	↓ MOL2 SDF SMILES Flexibase

54861404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3S,5R)-3,5-dimethyl-1-piperi…

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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	8.27	-9.7	0	3	0	33	264.394	1	↓ MOL2 SDF SMILES Flexibase

54861406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3S,5S)-3,5-dimethyl-1-piperi…

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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	8.45	-9.88	0	3	0	33	264.394	1	↓ MOL2 SDF SMILES Flexibase

54861408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3R,5R)-3,5-dimethyl-1-piperi…

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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	8.44	-9.99	0	3	0	33	264.394	1	↓ MOL2 SDF SMILES Flexibase

54861432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-2-(4-methyl-1-piperidyl)-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-(4-methyl-1-piper…

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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	8.62	-9.34	0	3	0	33	278.421	1	↓ MOL2 SDF SMILES Flexibase

54861434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methyl-1-piperidyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(4-methyl-1-piperidyl)-5,6-dih…

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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)	2.83	7.7	-10.08	0	3	0	33	250.367	1	↓ MOL2 SDF SMILES Flexibase

54861459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-2-[(2R)-2-methyl-1-piperidyl]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[(2R)-2-methyl-1-…

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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	7.96	-7.99	0	3	0	33	278.421	1	↓ MOL2 SDF SMILES Flexibase

54861461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-2-[(2S)-2-methyl-1-piperidyl]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[(2S)-2-methyl-1-…

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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	7.97	-7.97	0	3	0	33	278.421	1	↓ MOL2 SDF SMILES Flexibase

54861463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-methyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2R)-2-methyl-1-piperidyl]-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)	2.92	7.05	-8.72	0	3	0	33	250.367	1	↓ MOL2 SDF SMILES Flexibase

54861464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-methyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2S)-2-methyl-1-piperidyl]-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)	2.92	7.06	-8.71	0	3	0	33	250.367	1	↓ MOL2 SDF SMILES Flexibase

54861533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-2-[(3R)-3-methyl-1-piperidyl]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[(3R)-3-methyl-1-…

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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	8.61	-9.19	0	3	0	33	278.421	1	↓ MOL2 SDF SMILES Flexibase

54861535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-2-[(3S)-3-methyl-1-piperidyl]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[(3S)-3-methyl-1-…

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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	8.6	-9.24	0	3	0	33	278.421	1	↓ MOL2 SDF SMILES Flexibase

54861537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-methyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3R)-3-methyl-1-piperidyl]-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)	2.83	7.7	-10.01	0	3	0	33	250.367	1	↓ MOL2 SDF SMILES Flexibase

54861539

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-methyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3S)-3-methyl-1-piperidyl]-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)	2.83	7.69	-10	0	3	0	33	250.367	1	↓ MOL2 SDF SMILES Flexibase

54861877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-ethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(2R)-2-ethyl-1-piperidyl]-5,5…

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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)	4.34	8.56	-7.98	0	3	0	33	292.448	2	↓ MOL2 SDF SMILES Flexibase

54861879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-ethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(2S)-2-ethyl-1-piperidyl]-5,5…

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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)	4.34	8.55	-7.95	0	3	0	33	292.448	2	↓ MOL2 SDF SMILES Flexibase

54861881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-ethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2R)-2-ethyl-1-piperidyl]-5,6…

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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)	3.45	7.65	-8.73	0	3	0	33	264.394	2	↓ MOL2 SDF SMILES Flexibase

54861883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-ethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2S)-2-ethyl-1-piperidyl]-5,6…

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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)	3.45	7.63	-8.68	0	3	0	33	264.394	2	↓ MOL2 SDF SMILES Flexibase

54862073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxy-1-piperidyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-(4-methoxy-1-piperidyl)-5,5-di…

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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)	2.21	7.02	-10.62	0	4	0	42	294.42	2	↓ MOL2 SDF SMILES Flexibase

54862075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxy-1-piperidyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(4-methoxy-1-piperidyl)-5,6-di…

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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)	1.32	6.1	-11.41	0	4	0	42	266.366	2	↓ MOL2 SDF SMILES Flexibase

54862199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(dimethylamino)-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[4-(dimethylamino)-1-piperidyl…

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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)	2.98	9.02	-47.63	1	4	1	38	308.471	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.98	6.38	-9.31	0	4	0	36	307.463	2	↓ MOL2 SDF SMILES Flexibase

54862201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(dimethylamino)-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[4-(dimethylamino)-1-piperidyl…

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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)	2.10	8.11	-48.23	1	4	1	38	280.417	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.10	5.47	-10.08	0	4	0	36	279.409	2	↓ MOL2 SDF SMILES Flexibase

54862247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(3R)-3-ethyl-1-piperidyl]-5,5…

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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)	4.22	9.26	-9.14	0	3	0	33	292.448	2	↓ MOL2 SDF SMILES Flexibase

54862249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-ethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(3S)-3-ethyl-1-piperidyl]-5,5…

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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)	4.22	9.25	-9.24	0	3	0	33	292.448	2	↓ MOL2 SDF SMILES Flexibase

54862251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3R)-3-ethyl-1-piperidyl]-5,6…

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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	8.34	-9.9	0	3	0	33	264.394	2	↓ MOL2 SDF SMILES Flexibase

54862253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-ethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3S)-3-ethyl-1-piperidyl]-5,6…

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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	8.33	-9.93	0	3	0	33	264.394	2	↓ MOL2 SDF SMILES Flexibase

54862497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3R)-2,3-dimethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(2R,3R)-2,3-dimethyl-1-piperi…

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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)	4.04	9.03	-9.32	0	3	0	33	292.448	1	↓ MOL2 SDF SMILES Flexibase

54862498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3S)-2,3-dimethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(2R,3S)-2,3-dimethyl-1-piperi…

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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)	4.04	9.56	-8.96	0	3	0	33	292.448	1	↓ MOL2 SDF SMILES Flexibase

54862500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3R)-2,3-dimethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2R,3R)-2,3-dimethyl-1-piperi…

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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	8.12	-10.08	0	3	0	33	264.394	1	↓ MOL2 SDF SMILES Flexibase

54862503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3S)-2,3-dimethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2R,3S)-2,3-dimethyl-1-piperi…

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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	8.64	-9.68	0	3	0	33	264.394	1	↓ MOL2 SDF SMILES Flexibase

54862517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4R)-2,4-dimethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(2R,4R)-2,4-dimethyl-1-piperi…

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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)	4.04	8.56	-7.84	0	3	0	33	292.448	1	↓ MOL2 SDF SMILES Flexibase

54862519

Analogs

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Popular Name: 2-[(2R,4S)-2,4-dimethyl-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(2R,4S)-2,4-dimethyl-1-piperi…

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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)	4.04	9.17	-9.27	0	3	0	33	292.448	1	↓ MOL2 SDF SMILES Flexibase

54862521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4R)-2,4-dimethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2R,4R)-2,4-dimethyl-1-piperi…

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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	7.64	-8.53	0	3	0	33	264.394	1	↓ MOL2 SDF SMILES Flexibase

54862524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4S)-2,4-dimethyl-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(2R,4S)-2,4-dimethyl-1-piperi…

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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	8.25	-10.03	0	3	0	33	264.394	1	↓ MOL2 SDF SMILES Flexibase

54862535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butyl-1-piperidyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(4-tert-butyl-1-piperidyl)-5,6…

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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)	4.15	9.08	-9.84	0	3	0	33	292.448	2	↓ MOL2 SDF SMILES Flexibase

54862543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-2-(4-propyl-1-piperidyl)-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-(4-propyl-1-piper…

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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)	4.96	10.02	-9.32	0	3	0	33	306.475	3	↓ MOL2 SDF SMILES Flexibase

54862545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-propyl-1-piperidyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(4-propyl-1-piperidyl)-5,6-dih…

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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)	4.07	9.11	-10	0	3	0	33	278.421	3	↓ MOL2 SDF SMILES Flexibase

54862606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxy-1-piperidyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-(4-ethoxy-1-piperidyl)-5,5-dim…

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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)	2.58	7.98	-10.55	0	4	0	42	308.447	3	↓ MOL2 SDF SMILES Flexibase

54862608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxy-1-piperidyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(4-ethoxy-1-piperidyl)-5,6-dih…

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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)	1.70	7.06	-11.31	0	4	0	42	280.393	3	↓ MOL2 SDF SMILES Flexibase

54862977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(dimethylaminomethyl)-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[4-(dimethylaminomethyl)-1-pip…

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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)	2.48	9.06	-49.08	1	4	1	38	294.444	3	↓ MOL2 SDF SMILES Flexibase

54863704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-1-piperidyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-(4-ethyl-1-piperidyl)-5,5-dime…

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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	9.26	-9.29	0	3	0	33	292.448	2	↓ MOL2 SDF SMILES Flexibase

54863706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-1-piperidyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(4-ethyl-1-piperidyl)-5,6-dihy…

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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)	3.51	8.35	-9.98	0	3	0	33	264.394	2	↓ MOL2 SDF SMILES Flexibase

54863756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-propoxy-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3R)-3-propoxy-1-piperidyl]-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)	2.93	7.86	-9.85	0	4	0	42	294.42	4	↓ MOL2 SDF SMILES Flexibase

54863759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-propoxy-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3S)-3-propoxy-1-piperidyl]-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)	2.93	7.85	-9.85	0	4	0	42	294.42	4	↓ MOL2 SDF SMILES Flexibase

54863773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethoxy-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(3R)-3-ethoxy-1-piperidyl]-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)	3.31	7.97	-9.24	0	4	0	42	308.447	3	↓ MOL2 SDF SMILES Flexibase

54863776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-ethoxy-1-piperidyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[(3S)-3-ethoxy-1-piperidyl]-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)	3.31	7.97	-9.29	0	4	0	42	308.447	3	↓ MOL2 SDF SMILES Flexibase

54863778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethoxy-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3R)-3-ethoxy-1-piperidyl]-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)	2.43	7.06	-9.98	0	4	0	42	280.393	3	↓ MOL2 SDF SMILES Flexibase

54863780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-ethoxy-1-piperidyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[(3S)-3-ethoxy-1-piperidyl]-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)	2.43	7.06	-10	0	4	0	42	280.393	3	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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