In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 31 | Yes |
Popular Name: [4-[[4-(5-isobutyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-(o-tolyl)methanone [4-[[4-(5-isobutyl-1,2,4-oxadiaz…
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) | 4.01 | 9.9 | -12.06 | 0 | 6 | 0 | 62 | 418.541 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 12.17 | -53.14 | 1 | 6 | 1 | 64 | 419.549 | 6 | ↓ |