In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 32 | Yes |
Popular Name: 3-[4-[[4-(5-isobutyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazine-1-carbonyl]benzonitrile 3-[4-[[4-(5-isobutyl-1,2,4-oxadi…
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) | 3.34 | 9.45 | -15.62 | 0 | 7 | 0 | 86 | 429.524 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 11.77 | -61.84 | 1 | 7 | 1 | 87 | 430.532 | 6 | ↓ |