UCSF

ZINC65575404

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 22 Yes

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

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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) 2.87 5.89 -42.38 1 5 1 47 307.462 4 ↓
Mid Mid (pH 6-8) 2.87 6.03 -37.31 1 5 1 47 307.462 4 ↓
Lo Low (pH 4.5-6) 2.87 8.28 -108.39 2 5 2 48 308.47 4 ↓

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