UCSF

ZINC05198829

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 14 No

Popular Name: 1,2,4-oxadiazol-3-yl-(1-piperidyl)methanone 1,2,4-oxadiazol-3-yl-(1-piperidy…

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Download: MOL2 SDF SMILES Flexibase

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.36 1.41 -9.72 1 6 0 75 196.21 2 ↓
Ref Reference (pH 7) -0.36 0.57 -9.58 1 6 0 75 196.21 2 ↓
Lo Low (pH 4.5-6) 0.85 3.07 -16.92 2 6 0 76 197.218 2 ↓
Lo Low (pH 4.5-6) 0.85 3.91 -54.57 2 6 1 76 197.218 2 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.