ZINC 12

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)	0.90	3.42	-87.36	3	5	2	60	226.324	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.90	0.94	-35.4	2	5	1	59	225.316	4	↓ MOL2 SDF SMILES Flexibase

63012071

Analogs

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Popular Name: N,N-dimethyl-2-[3-[(2R)-2-piperidyl]-1,2,4-oxadiazol-5-yl]ethanamine N,N-dimethyl-2-[3-[(2R)-2-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)	0.90	3.42	-88.72	3	5	2	60	226.324	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.90	0.94	-35.31	2	5	1	59	225.316	4	↓ MOL2 SDF SMILES Flexibase

69690916

Analogs

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Popular Name: 5-[(1R)-1,2-dimethylpropyl]-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-[(1R)-1,2-dimethylpropyl]-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)	2.31	3.82	-34.37	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

69690919

Analogs

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Popular Name: 5-[(1S)-1,2-dimethylpropyl]-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-[(1S)-1,2-dimethylpropyl]-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)	2.31	3.82	-34.25	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

69690921

Analogs

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Popular Name: 5-[(1R)-1,2-dimethylpropyl]-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-[(1R)-1,2-dimethylpropyl]-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)	2.31	3.82	-34.24	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

69690923

Analogs

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Popular Name: 5-[(1S)-1,2-dimethylpropyl]-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-[(1S)-1,2-dimethylpropyl]-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)	2.31	3.82	-34.36	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

69716603

Analogs

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

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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)	0.06	-1.13	-48.54	2	6	1	90	246.312	3	↓ MOL2 SDF SMILES Flexibase

69716607

Analogs

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

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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)	0.06	-1.13	-46.05	2	6	1	90	246.312	3	↓ MOL2 SDF SMILES Flexibase

40443330

Analogs

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Popular Name: 2-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride 2-(5-tert-Butyl-1,2,4-oxadiazol-…

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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	3.24	-34.34	2	4	1	56	210.301	2	↓ MOL2 SDF SMILES Flexibase

40443331

Analogs

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Popular Name: 2-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride 2-(5-tert-Butyl-1,2,4-oxadiazol-…

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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	3.24	-34.38	2	4	1	56	210.301	2	↓ MOL2 SDF SMILES Flexibase

40443491

Analogs

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Popular Name: 5-butyl-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-butyl-3-[(2S)-2-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)	2.30	3.66	-35.03	2	4	1	56	210.301	4	↓ MOL2 SDF SMILES Flexibase

40443492

Analogs

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Popular Name: 5-butyl-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-butyl-3-[(2R)-2-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)	2.30	3.66	-34.88	2	4	1	56	210.301	4	↓ MOL2 SDF SMILES Flexibase

40443495

Analogs

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Popular Name: 2-[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride 2-[5-(2-Methylpropyl)-1,2,4-oxad…

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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)	1.99	3.41	-34.81	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

40443496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride 2-[5-(2-Methylpropyl)-1,2,4-oxad…

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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)	1.99	3.41	-34.54	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

40443501

Analogs

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Popular Name: 5-pentyl-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-pentyl-3-[(2S)-2-piperidyl]-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)	2.81	4.44	-35.1	2	4	1	56	224.328	5	↓ MOL2 SDF SMILES Flexibase

40443502

Analogs

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Popular Name: 5-pentyl-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-pentyl-3-[(2R)-2-piperidyl]-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)	2.81	4.44	-34.98	2	4	1	56	224.328	5	↓ MOL2 SDF SMILES Flexibase

40443525

Analogs

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Popular Name: 5-(2,2-dimethylpropyl)-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-(2,2-dimethylpropyl)-3-[(2S)-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)	2.57	4.03	-34.61	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

40443526

Analogs

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Popular Name: 5-(2,2-dimethylpropyl)-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-(2,2-dimethylpropyl)-3-[(2R)-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)	2.57	4.03	-34.34	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

40443535

Analogs

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Popular Name: 5-[(1R)-1-ethylpentyl]-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-[(1R)-1-ethylpentyl]-3-[(2S)-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)	3.48	5.54	-34.4	2	4	1	56	252.382	6	↓ MOL2 SDF SMILES Flexibase

40443536

Analogs

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Popular Name: 5-[(1S)-1-ethylpentyl]-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-[(1S)-1-ethylpentyl]-3-[(2S)-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)	3.48	5.55	-34.29	2	4	1	56	252.382	6	↓ MOL2 SDF SMILES Flexibase

40443537

Analogs

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Popular Name: 5-[(1R)-1-ethylpentyl]-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-[(1R)-1-ethylpentyl]-3-[(2R)-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)	3.48	5.54	-34.5	2	4	1	56	252.382	6	↓ MOL2 SDF SMILES Flexibase

40443538

Analogs

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Popular Name: 5-[(1S)-1-ethylpentyl]-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-[(1S)-1-ethylpentyl]-3-[(2R)-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)	3.48	5.55	-34.32	2	4	1	56	252.382	6	↓ MOL2 SDF SMILES Flexibase

40443541

Analogs

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Popular Name: 5-(1-ethylpropyl)-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-(1-ethylpropyl)-3-[(2S)-2-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)	2.41	4	-34.27	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

40443542

Analogs

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Popular Name: 5-(1-ethylpropyl)-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-(1-ethylpropyl)-3-[(2R)-2-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)	2.41	4	-34.26	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

40443545

Analogs

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Popular Name: 5-(ethoxymethyl)-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-(ethoxymethyl)-3-[(2S)-2-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)	1.02	1.36	-36.9	2	5	1	65	212.273	4	↓ MOL2 SDF SMILES Flexibase

40443546

Analogs

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Popular Name: 5-(ethoxymethyl)-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-(ethoxymethyl)-3-[(2R)-2-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)	1.02	1.36	-35.84	2	5	1	65	212.273	4	↓ MOL2 SDF SMILES Flexibase

40443557

Analogs

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Popular Name: 5-[(1R)-1-methylbutyl]-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-[(1R)-1-methylbutyl]-3-[(2S)-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)	2.63	4.12	-34.56	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

40443558

Analogs

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Popular Name: 5-[(1S)-1-methylbutyl]-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-[(1S)-1-methylbutyl]-3-[(2S)-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)	2.63	4.12	-34.55	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

40443559

Analogs

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Popular Name: 5-[(1R)-1-methylbutyl]-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-[(1R)-1-methylbutyl]-3-[(2R)-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)	2.63	4.12	-34.57	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

40443560

Analogs

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Popular Name: 5-[(1S)-1-methylbutyl]-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-[(1S)-1-methylbutyl]-3-[(2R)-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)	2.63	4.12	-34.58	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

40443591

Analogs

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Popular Name: 5-isopentyl-3-[(2S)-2-piperidyl]-1,2,4-oxadiazole 5-isopentyl-3-[(2S)-2-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)	2.52	4.18	-35.08	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

40443592

Analogs

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Popular Name: 5-isopentyl-3-[(2R)-2-piperidyl]-1,2,4-oxadiazole 5-isopentyl-3-[(2R)-2-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)	2.52	4.18	-34.91	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

40443623

Analogs

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

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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)	1.79	2.5	-39.07	2	4	1	56	236.217	3	↓ MOL2 SDF SMILES Flexibase

40443624

Analogs

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

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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)	1.79	2.5	-37.76	2	4	1	56	236.217	3	↓ MOL2 SDF SMILES Flexibase

40443627

Analogs

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

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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)	2.07	3.36	-34.48	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

40443628

Analogs

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

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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)	2.07	3.36	-34.42	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

40443629

Analogs

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

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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)	2.07	3.36	-34.44	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

40443630

Analogs

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

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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)	2.07	3.36	-34.48	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

40443639

Analogs

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

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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)	3.58	5.95	-34.88	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase

40443640

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.58	5.6	-35	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase

40443641

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.58	5.95	-34.74	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase

40443642

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.58	5.6	-34.83	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase

70190623

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.18	2.54	-36.85	2	4	1	56	214.314	3	↓ MOL2 SDF SMILES Flexibase

70190625

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.18	2.54	-35.75	2	4	1	56	214.314	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 125796
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 = 125796 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=125796&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": "125796"        

    });
</script>

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