ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

20004746

Analogs

44265537
44265541
44265789
44265792
44265868

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidine (3R)-3-[3-[(4-chlorophenyl)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)	2.48	5.71	-48.98	2	4	1	56	278.763	3	↓ MOL2 SDF SMILES Flexibase

20004749

Analogs

44265537
44265541
44265789
44265792
44265868

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidine (3S)-3-[3-[(4-chlorophenyl)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)	2.48	5.72	-48.1	2	4	1	56	278.763	3	↓ MOL2 SDF SMILES Flexibase

62606650

Analogs

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Popular Name: 3-[(2-chloro-4-fluoro-phenyl)methyl]-5-[(3R)-3-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	5.6	-48.02	2	4	1	56	296.753	3	↓ MOL2 SDF SMILES Flexibase

62606655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-chloro-4-fluoro-phenyl)methyl]-5-[(3S)-3-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	5.6	-48.72	2	4	1	56	296.753	3	↓ MOL2 SDF SMILES Flexibase

62772665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-methyl-1-phenyl-ethyl)-5-[(3R)-3-piperidyl]-1,2,4-oxadiazole 3-(1-methyl-1-phenyl-ethyl)-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)	2.23	5.82	-46.91	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62772666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-methyl-1-phenyl-ethyl)-5-[(3S)-3-piperidyl]-1,2,4-oxadiazole 3-(1-methyl-1-phenyl-ethyl)-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)	2.23	5.82	-47.04	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62871655

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.57	-41.25	2	4	1	56	258.345	3	↓ MOL2 SDF SMILES Flexibase

62871656

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.57	-40.96	2	4	1	56	258.345	3	↓ MOL2 SDF SMILES Flexibase

62871657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-[(3S)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-benzyl-5-[(3S)-3-ethyl-3-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)	2.75	6.91	-41.44	2	4	1	56	272.372	4	↓ MOL2 SDF SMILES Flexibase

62871658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-[(3R)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-benzyl-5-[(3R)-3-ethyl-3-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)	2.75	6.9	-41.12	2	4	1	56	272.372	4	↓ MOL2 SDF SMILES Flexibase

62871661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-[(3S)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-benzyl-5-[(3S)-3-propyl-3-pipe…

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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	7.67	-41.62	2	4	1	56	286.399	5	↓ MOL2 SDF SMILES Flexibase

62871662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-5-[(3R)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-benzyl-5-[(3R)-3-propyl-3-pipe…

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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	7.66	-41.31	2	4	1	56	286.399	5	↓ MOL2 SDF SMILES Flexibase

62871701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methyl]-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(4-chlorophenyl)methyl]-5-[(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)	3.11	6.09	-41.86	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62871702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methyl]-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(4-chlorophenyl)methyl]-5-[(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)	3.11	6.09	-41.29	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62871703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methyl]-5-[(3S)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-[(4-chlorophenyl)methyl]-5-[(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)	3.43	7.43	-42.12	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62871704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methyl]-5-[(3R)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-[(4-chlorophenyl)methyl]-5-[(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)	3.43	7.42	-41.54	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62871717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]methyl]phenol 4-[[5-[(3S)-3-methyl-3-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)	1.95	2.71	-43.39	3	5	1	76	274.344	3	↓ MOL2 SDF SMILES Flexibase

62871718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]methyl]phenol 4-[[5-[(3R)-3-methyl-3-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)	1.95	2.71	-43.13	3	5	1	76	274.344	3	↓ MOL2 SDF SMILES Flexibase

62871719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-[(3S)-3-ethyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]methyl]phenol 4-[[5-[(3S)-3-ethyl-3-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)	2.27	4.05	-43.57	3	5	1	76	288.371	4	↓ MOL2 SDF SMILES Flexibase

62871720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-[(3R)-3-ethyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]methyl]phenol 4-[[5-[(3R)-3-ethyl-3-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)	2.27	4.04	-43.34	3	5	1	76	288.371	4	↓ MOL2 SDF SMILES Flexibase

62871941

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.19	-41.84	2	4	1	56	337.241	3	↓ MOL2 SDF SMILES Flexibase

62871942

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.19	-41.34	2	4	1	56	337.241	3	↓ MOL2 SDF SMILES Flexibase

62871945

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.53	-42.04	2	4	1	56	351.268	4	↓ MOL2 SDF SMILES Flexibase

62871946

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.52	-41.51	2	4	1	56	351.268	4	↓ MOL2 SDF SMILES Flexibase

62871951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-chlorophenyl)methyl]-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(3-chlorophenyl)methyl]-5-[(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)	3.08	6.08	-41.95	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62871952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-chlorophenyl)methyl]-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(3-chlorophenyl)methyl]-5-[(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)	3.08	6.08	-41.49	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62871953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-chlorophenyl)methyl]-5-[(3S)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-[(3-chlorophenyl)methyl]-5-[(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)	3.41	7.42	-42.09	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62871954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-chlorophenyl)methyl]-5-[(3R)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-[(3-chlorophenyl)methyl]-5-[(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)	3.41	7.41	-41.69	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62871957

Analogs

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Popular Name: 3-[(4-fluorophenyl)methyl]-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(4-fluorophenyl)methyl]-5-[(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)	2.59	5.63	-42.55	2	4	1	56	276.335	3	↓ MOL2 SDF SMILES Flexibase

62871958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluorophenyl)methyl]-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(4-fluorophenyl)methyl]-5-[(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)	2.59	5.63	-41.94	2	4	1	56	276.335	3	↓ MOL2 SDF SMILES Flexibase

62871961

Analogs

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Popular Name: 5-[(3S)-3-ethyl-3-piperidyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole 5-[(3S)-3-ethyl-3-piperidyl]-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)	2.92	6.97	-42.7	2	4	1	56	290.362	4	↓ MOL2 SDF SMILES Flexibase

62871962

Analogs

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Popular Name: 5-[(3R)-3-ethyl-3-piperidyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole 5-[(3R)-3-ethyl-3-piperidyl]-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)	2.92	6.96	-42.12	2	4	1	56	290.362	4	↓ MOL2 SDF SMILES Flexibase

62871965

Analogs

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Popular Name: 3-[(2,4-dichlorophenyl)methyl]-5-[(3S)-3-methyl-3-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	6.52	-41.67	2	4	1	56	327.235	3	↓ MOL2 SDF SMILES Flexibase

62871966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,4-dichlorophenyl)methyl]-5-[(3R)-3-methyl-3-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	6.52	-41.21	2	4	1	56	327.235	3	↓ MOL2 SDF SMILES Flexibase

62872070

Analogs

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

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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	6.18	-41.9	2	4	1	56	337.241	3	↓ MOL2 SDF SMILES Flexibase

62872071

Analogs

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

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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	6.18	-41.49	2	4	1	56	337.241	3	↓ MOL2 SDF SMILES Flexibase

62872072

Analogs

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

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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	7.52	-42.07	2	4	1	56	351.268	4	↓ MOL2 SDF SMILES Flexibase

62872073

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.51	-41.66	2	4	1	56	351.268	4	↓ MOL2 SDF SMILES Flexibase

62872178

Analogs

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Popular Name: 3-[(3-fluorophenyl)methyl]-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(3-fluorophenyl)methyl]-5-[(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)	2.57	5.63	-42.74	2	4	1	56	276.335	3	↓ MOL2 SDF SMILES Flexibase

62872179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-fluorophenyl)methyl]-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(3-fluorophenyl)methyl]-5-[(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)	2.57	5.63	-42.22	2	4	1	56	276.335	3	↓ MOL2 SDF SMILES Flexibase

62872180

Analogs

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Popular Name: 5-[(3S)-3-ethyl-3-piperidyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole 5-[(3S)-3-ethyl-3-piperidyl]-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)	2.89	6.97	-42.92	2	4	1	56	290.362	4	↓ MOL2 SDF SMILES Flexibase

62872181

Analogs

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Popular Name: 5-[(3R)-3-ethyl-3-piperidyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole 5-[(3R)-3-ethyl-3-piperidyl]-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)	2.89	6.96	-42.47	2	4	1	56	290.362	4	↓ MOL2 SDF SMILES Flexibase

62872196

Analogs

40907207
40907208

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Popular Name: 3-[(2-methoxyphenyl)methyl]-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(2-methoxyphenyl)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)	2.44	4.93	-42.03	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62872197

Analogs

40907207
40907208

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methoxyphenyl)methyl]-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(2-methoxyphenyl)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)	2.44	4.93	-41.96	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62872206

Analogs

40907458
40907459

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Popular Name: 3-[(3-methoxyphenyl)methyl]-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(3-methoxyphenyl)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)	2.46	4.86	-42.9	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62872207

Analogs

40907458
40907459

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-methoxyphenyl)methyl]-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(3-methoxyphenyl)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)	2.46	4.86	-42.5	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62872210

Analogs

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Popular Name: 3-[(4-methoxyphenyl)methyl]-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(4-methoxyphenyl)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)	2.49	4.87	-42.68	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62872211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methoxyphenyl)methyl]-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-[(4-methoxyphenyl)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)	2.49	4.87	-42.18	2	5	1	65	288.371	4	↓ MOL2 SDF SMILES Flexibase

62872236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,5-difluorophenyl)methyl]-5-[(3S)-3-methyl-3-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	5.7	-42.52	2	4	1	56	294.325	3	↓ MOL2 SDF SMILES Flexibase

62872237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,5-difluorophenyl)methyl]-5-[(3R)-3-methyl-3-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	5.7	-41.93	2	4	1	56	294.325	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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