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ZINC Item

Suppliers, Protomers, & Similar Substances

19990178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-[5-(4-piperidyl)-1,2,4-oxadiazol-3-yl]phenol 2-methoxy-4-[5-(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)	1.19	1.71	-51.74	3	6	1	85	276.316	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.48	2.11	-36.19	2	6	0	80	275.308	2	↓ MOL2 SDF SMILES Flexibase

4890594

Analogs

16602389
16954382
35291184
1368167

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butylsulfonyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-piperidine 1-butylsulfonyl-4-[3-(3-methoxyp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	-4.38	-15.25	0	7	0	85	379.482	7	↓ MOL2 SDF SMILES Flexibase

62790668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-(4-piperidyl)-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-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)	2.62	5.09	-48.48	2	4	1	56	282.726	2	↓ MOL2 SDF SMILES Flexibase

62843180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-(4-methyl-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)	3.16	5.31	-44.62	2	4	1	56	278.763	2	↓ MOL2 SDF SMILES Flexibase

62843186

Analogs

15446548

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methyl-4-piperidyl)-3-(p-tolyl)-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)	2.93	5.46	-44.72	2	4	1	56	258.345	2	↓ MOL2 SDF SMILES Flexibase

62843214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methyl-4-piperidyl)-3-(o-tolyl)-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)	2.88	5.3	-44.75	2	4	1	56	258.345	2	↓ MOL2 SDF SMILES Flexibase

62843216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methyl-4-piperidyl)-3-(m-tolyl)-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)	2.90	5.45	-44.96	2	4	1	56	258.345	2	↓ MOL2 SDF SMILES Flexibase

62843229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-fluoro-4-methyl-phenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(3-fluoro-4-methyl-phenyl)-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)	3.02	5.5	-44.98	2	4	1	56	276.335	2	↓ MOL2 SDF SMILES Flexibase

62843241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromophenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(3-bromophenyl)-5-(4-methyl-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)	3.26	5.4	-45.51	2	4	1	56	323.214	2	↓ MOL2 SDF SMILES Flexibase

62843244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-(4-methyl-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)	3.13	5.3	-45.55	2	4	1	56	278.763	2	↓ MOL2 SDF SMILES Flexibase

62843258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(4-bromophenyl)-5-(4-methyl-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)	3.29	5.41	-44.68	2	4	1	56	323.214	2	↓ MOL2 SDF SMILES Flexibase

62843260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(4-fluorophenyl)-5-(4-methyl-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)	2.64	4.86	-44.99	2	4	1	56	262.308	2	↓ MOL2 SDF SMILES Flexibase

62843263

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	4.09	-45.48	2	5	1	65	274.344	3	↓ MOL2 SDF SMILES Flexibase

62843267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-fluorophenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(3-fluorophenyl)-5-(4-methyl-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)	2.62	4.86	-46.24	2	4	1	56	262.308	2	↓ MOL2 SDF SMILES Flexibase

62843268

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	4.38	-46.52	2	5	1	65	274.344	3	↓ MOL2 SDF SMILES Flexibase

62843272

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.51	4.09	-46.8	2	5	1	65	274.344	3	↓ MOL2 SDF SMILES Flexibase

62843277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-ethoxyphenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(3-ethoxyphenyl)-5-(4-methyl-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)	2.89	5.01	-46.61	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62843281

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.5	-48.75	2	7	1	101	289.315	3	↓ MOL2 SDF SMILES Flexibase

62843282

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.41	5.49	-50.97	2	7	1	101	289.315	3	↓ MOL2 SDF SMILES Flexibase

62843293

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	6.71	-44.39	2	4	1	56	286.399	3	↓ MOL2 SDF SMILES Flexibase

62843298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-ethylphenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(4-ethylphenyl)-5-(4-methyl-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)	3.39	6.23	-44.53	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62843305

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	4.91	-47.13	2	4	1	56	280.298	2	↓ MOL2 SDF SMILES Flexibase

62843313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluoro-3-methyl-phenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(4-fluoro-3-methyl-phenyl)-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)	3.02	5.49	-45.14	2	4	1	56	276.335	2	↓ MOL2 SDF SMILES Flexibase

62843344

Analogs

43387473

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	4.92	-44.72	2	4	1	56	280.298	2	↓ MOL2 SDF SMILES Flexibase

62843347

Analogs

43391696

Draw Identity 99% 90% 80% 70%

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

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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)	2.83	4.97	-46.31	2	4	1	56	298.288	2	↓ MOL2 SDF SMILES Flexibase

62843352

Analogs

43560551

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromophenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(2-bromophenyl)-5-(4-methyl-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)	3.24	5.6	-45.26	2	4	1	56	323.214	2	↓ MOL2 SDF SMILES Flexibase

62843362

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.39	4.99	-53.9	2	7	1	101	289.315	3	↓ MOL2 SDF SMILES Flexibase

62843375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chlorophenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(2-chlorophenyl)-5-(4-methyl-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	5.45	-45.57	2	4	1	56	278.763	2	↓ MOL2 SDF SMILES Flexibase

62843379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-fluoro-2-methyl-phenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(5-fluoro-2-methyl-phenyl)-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)	3.02	5.36	-45.43	2	4	1	56	276.335	2	↓ MOL2 SDF SMILES Flexibase

62843396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(2-fluorophenyl)-5-(4-methyl-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)	2.60	4.93	-47.24	2	4	1	56	262.308	2	↓ MOL2 SDF SMILES Flexibase

62843407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chloro-4-fluoro-phenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(2-chloro-4-fluoro-phenyl)-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	5.52	-45.34	2	4	1	56	296.753	2	↓ MOL2 SDF SMILES Flexibase

62843424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-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	5.35	-46.26	2	4	1	56	296.753	2	↓ MOL2 SDF SMILES Flexibase

62845572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-(4-propyl-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)	4.04	7.41	-45.38	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62845573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-(4-ethyl-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)	3.48	6.65	-44.99	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62845576

Analogs

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Popular Name: 5-(4-propyl-4-piperidyl)-3-(p-tolyl)-1,2,4-oxadiazole 5-(4-propyl-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)	3.81	7.57	-45.33	2	4	1	56	286.399	4	↓ MOL2 SDF SMILES Flexibase

62845577

Analogs

15446548

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Popular Name: 5-(4-ethyl-4-piperidyl)-3-(p-tolyl)-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)	3.25	6.8	-45.01	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62845594

Analogs

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Popular Name: 3-phenyl-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-phenyl-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)	3.36	6.87	-45.49	2	4	1	56	272.372	4	↓ MOL2 SDF SMILES Flexibase

62845595

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.11	-45.13	2	4	1	56	258.345	3	↓ MOL2 SDF SMILES Flexibase

62845602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(o-tolyl)-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-(o-tolyl)-5-(4-propyl-4-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)	3.76	7.15	-45.44	2	4	1	56	286.399	4	↓ MOL2 SDF SMILES Flexibase

62845604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-4-piperidyl)-3-(o-tolyl)-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)	3.20	6.38	-45.15	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62845605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(m-tolyl)-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-(m-tolyl)-5-(4-propyl-4-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)	3.79	7.56	-45.45	2	4	1	56	286.399	4	↓ MOL2 SDF SMILES Flexibase

62845607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-4-piperidyl)-3-(m-tolyl)-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)	3.23	6.79	-45.2	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62845634

Analogs

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

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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)	3.34	6.84	-46.58	2	4	1	56	290.362	3	↓ MOL2 SDF SMILES Flexibase

62845647

Analogs

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Popular Name: 3-(3-bromophenyl)-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-(3-bromophenyl)-5-(4-propyl-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)	4.15	7.5	-46.18	2	4	1	56	351.268	4	↓ MOL2 SDF SMILES Flexibase

62845648

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.59	6.74	-45.82	2	4	1	56	337.241	3	↓ MOL2 SDF SMILES Flexibase

62845650

Analogs

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Popular Name: 3-(3-chlorophenyl)-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-(4-propyl-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)	4.02	7.4	-46.24	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62845652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-(4-ethyl-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)	3.46	6.64	-45.84	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62845664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-(4-bromophenyl)-5-(4-propyl-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)	4.17	7.51	-45.38	2	4	1	56	351.268	4	↓ MOL2 SDF SMILES Flexibase

62845666

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.75	-45	2	4	1	56	337.241	3	↓ MOL2 SDF SMILES Flexibase

62845670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-(4-fluorophenyl)-5-(4-propyl-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)	3.52	6.96	-45.73	2	4	1	56	290.362	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 54879
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 = 54879 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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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