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ZINC Item

Suppliers, Protomers, & Similar Substances

19999992

Analogs

53129601

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(4-piperidyl)-1,2,4-oxadiazol-3-yl]methyl]phenol 4-[[5-(4-piperidyl)-1,2,4-oxadia…

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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	2.34	-53.22	3	5	1	76	260.317	3	↓ MOL2 SDF SMILES Flexibase

62606759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-chloro-4-fluoro-phenyl)methyl]-5-(4-piperidyl)-1,2,4-oxadiazole 3-[(2-chloro-4-fluoro-phenyl)met…

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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)	2.57	5.63	-49.35	2	4	1	56	296.753	3	↓ MOL2 SDF SMILES Flexibase

62772700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-methyl-1-phenyl-ethyl)-5-(4-piperidyl)-1,2,4-oxadiazole 3-(1-methyl-1-phenyl-ethyl)-5-(4…

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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	5.84	-48.26	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62843191

Analogs

10536987

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-benzyl-5-(4-methyl-4-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)	2.43	5.35	-44.88	2	4	1	56	258.345	3	↓ MOL2 SDF SMILES Flexibase

62843197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(4-chlorophenyl)methyl]-5-(4-…

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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	5.87	-44.06	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62843200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(4-methyl-4-piperidyl)-1,2,4-oxadiazol-3-yl]methyl]phenol 4-[[5-(4-methyl-4-piperidyl)-1,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.95	2.49	-46.88	3	5	1	76	274.344	3	↓ MOL2 SDF SMILES Flexibase

62843245

Analogs

10537029

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-bromophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(4-bromophenyl)methyl]-5-(4-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)	3.24	5.97	-44.03	2	4	1	56	337.241	3	↓ MOL2 SDF SMILES Flexibase

62843246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-chlorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3-chlorophenyl)methyl]-5-(4-…

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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	5.86	-45.81	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62843248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(4-fluorophenyl)methyl]-5-(4-…

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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)	2.59	5.42	-44.64	2	4	1	56	276.335	3	↓ MOL2 SDF SMILES Flexibase

62843252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,4-dichlorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2,4-dichlorophenyl)methyl]-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)	3.71	6.3	-45.57	2	4	1	56	327.235	3	↓ MOL2 SDF SMILES Flexibase

62843283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-bromophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3-bromophenyl)methyl]-5-(4-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)	3.21	5.96	-45.77	2	4	1	56	337.241	3	↓ MOL2 SDF SMILES Flexibase

62843322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-fluorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3-fluorophenyl)methyl]-5-(4-…

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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)	2.57	5.42	-46.69	2	4	1	56	276.335	3	↓ MOL2 SDF SMILES Flexibase

62843325

Analogs

40907198

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methoxyphenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2-methoxyphenyl)methyl]-5-(4…

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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	4.71	-45.92	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62843327

Analogs

40907449

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-methoxyphenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3-methoxyphenyl)methyl]-5-(4…

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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)	2.46	4.65	-45.87	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62843329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methoxyphenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(4-methoxyphenyl)methyl]-5-(4…

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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)	2.49	4.65	-46.36	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62843335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,5-difluorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3,5-difluorophenyl)methyl]-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)	2.68	5.48	-44.4	2	4	1	56	294.325	3	↓ MOL2 SDF SMILES Flexibase

62843336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-fluorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2-fluorophenyl)methyl]-5-(4-…

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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)	2.54	5.39	-46.55	2	4	1	56	276.335	3	↓ MOL2 SDF SMILES Flexibase

62843350

Analogs

43560181

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methyl-4-piperidyl)-3-(o-tolylmethyl)-1,2,4-oxadiazole 5-(4-methyl-4-piperidyl)-3-(o-to…

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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	6.31	-43.78	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62843355

Analogs

43560980

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methyl-4-piperidyl)-3-(m-tolylmethyl)-1,2,4-oxadiazole 5-(4-methyl-4-piperidyl)-3-(m-to…

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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)	2.85	6	-44.95	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62843358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-chlorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2-chlorophenyl)methyl]-5-(4-…

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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)	3.06	5.79	-45.32	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62843359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,6-dichlorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2,6-dichlorophenyl)methyl]-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)	3.69	6.2	-44.11	2	4	1	56	327.235	3	↓ MOL2 SDF SMILES Flexibase

62843374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3,4-dichlorophenyl)methyl]-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)	3.71	6.32	-45.38	2	4	1	56	327.235	3	↓ MOL2 SDF SMILES Flexibase

62843378

Analogs

10536987

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methyl-4-piperidyl)-3-(p-tolylmethyl)-1,2,4-oxadiazole 5-(4-methyl-4-piperidyl)-3-(p-to…

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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)	2.88	6.01	-43.85	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62843389

Analogs

43560980

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,5-dimethylphenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3,5-dimethylphenyl)methyl]-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)	3.25	6.66	-45.02	2	4	1	56	286.399	3	↓ MOL2 SDF SMILES Flexibase

62843404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-bromophenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2-bromophenyl)methyl]-5-(4-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)	3.19	5.91	-45.07	2	4	1	56	337.241	3	↓ MOL2 SDF SMILES Flexibase

62843406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,4-dimethylphenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3,4-dimethylphenyl)methyl]-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)	3.25	6.56	-43.87	2	4	1	56	286.399	3	↓ MOL2 SDF SMILES Flexibase

62843410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-chloro-6-fluoro-phenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2-chloro-6-fluoro-phenyl)met…

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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)	3.17	5.8	-44.83	2	4	1	56	310.78	3	↓ MOL2 SDF SMILES Flexibase

62843411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-chloro-4-fluoro-phenyl)methyl]-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2-chloro-4-fluoro-phenyl)met…

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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)	3.20	5.86	-46.06	2	4	1	56	310.78	3	↓ MOL2 SDF SMILES Flexibase

62843416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-methyl-1-phenyl-ethyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(1-methyl-1-phenyl-ethyl)-5-(4…

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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	6.06	-44.53	2	4	1	56	286.399	3	↓ MOL2 SDF SMILES Flexibase

62845578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-benzyl-5-(4-propyl-4-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)	3.31	7.45	-45.39	2	4	1	56	286.399	5	↓ MOL2 SDF SMILES Flexibase

62845579

Analogs

10536987

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-benzyl-5-(4-ethyl-4-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)	2.75	6.69	-45.15	2	4	1	56	272.372	4	↓ MOL2 SDF SMILES Flexibase

62845586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methyl]-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-[(4-chlorophenyl)methyl]-5-(4-…

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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)	3.43	7.19	-44.25	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62845587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazol-3-yl]methyl]phenol 4-[[5-(4-ethyl-4-piperidyl)-1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	3.84	-47.11	3	5	1	76	288.371	4	↓ MOL2 SDF SMILES Flexibase

62845654

Analogs

10537029

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-bromophenyl)methyl]-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-[(4-bromophenyl)methyl]-5-(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	7.29	-44.24	2	4	1	56	351.268	4	↓ MOL2 SDF SMILES Flexibase

62845657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-chlorophenyl)methyl]-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3-chlorophenyl)methyl]-5-(4-…

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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	7.2	-45.98	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62845661

Analogs

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Popular Name: 5-(4-ethyl-4-piperidyl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-[(4-fl…

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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	6.74	-44.78	2	4	1	56	290.362	4	↓ MOL2 SDF SMILES Flexibase

62845695

Analogs

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Popular Name: 3-[(3-bromophenyl)methyl]-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-[(3-bromophenyl)methyl]-5-(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)	3.54	7.3	-45.94	2	4	1	56	351.268	4	↓ MOL2 SDF SMILES Flexibase

62845729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-4-piperidyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-[(3-fl…

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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	6.76	-46.85	2	4	1	56	290.362	4	↓ MOL2 SDF SMILES Flexibase

62845739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-4-piperidyl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-[(2-fl…

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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)	2.87	6.73	-46.76	2	4	1	56	290.362	4	↓ MOL2 SDF SMILES Flexibase

62845755

Analogs

43560181

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Popular Name: 5-(4-ethyl-4-piperidyl)-3-(o-tolylmethyl)-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-(o-tol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	7.32	-45	2	4	1	56	286.399	4	↓ MOL2 SDF SMILES Flexibase

62845761

Analogs

43560980

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-4-piperidyl)-3-(m-tolylmethyl)-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-(m-tol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.18	7.34	-44.06	2	4	1	56	286.399	4	↓ MOL2 SDF SMILES Flexibase

62845770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-chlorophenyl)methyl]-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2-chlorophenyl)methyl]-5-(4-…

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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	7.13	-45.47	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62845817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-4-piperidyl)-3-(p-tolylmethyl)-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-(p-tol…

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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)	3.20	7.36	-45.15	2	4	1	56	286.399	4	↓ MOL2 SDF SMILES Flexibase

62845905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-bromophenyl)methyl]-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-[(2-bromophenyl)methyl]-5-(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)	3.51	7.25	-45.21	2	4	1	56	351.268	4	↓ MOL2 SDF SMILES Flexibase

49347914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,5-difluorophenyl)methyl]-5-(4-piperidyl)-1,2,4-oxadiazole 3-[(3,5-difluorophenyl)methyl]-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)	2.06	5.24	-48.81	2	4	1	56	280.298	3	↓ MOL2 SDF SMILES Flexibase

37330855

Analogs

44265495
44265841

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-chlorophenyl)methyl]-5-(4-piperidyl)-1,2,4-oxadiazole 3-[(3-chlorophenyl)methyl]-5-(4-…

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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)	2.46	5.61	-49.18	2	4	1	56	278.763	3	↓ MOL2 SDF SMILES Flexibase

37330931

Analogs

53133281

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluorophenyl)methyl]-5-(4-piperidyl)-1,2,4-oxadiazole 3-[(4-fluorophenyl)methyl]-5-(4-…

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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)	1.97	5.17	-49.09	2	4	1	56	262.308	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 59749
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 = 59749 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=59749&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', {
        "ring.id": "59749"        

    });
</script>

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