In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 30 | Yes |
Popular Name: 1,3-benzodioxol-5-yl-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridyl]piperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[4-[5-(5-et…
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) | 2.32 | 6.56 | -15.73 | 0 | 9 | 0 | 94 | 407.43 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 6.87 | -46.36 | 1 | 9 | 1 | 95 | 408.438 | 4 | ↓ |