In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 22 | Yes |
Popular Name: 1-[4-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]piperazin-1-yl]propan-1-one 1-[4-[2-(1,3-benzodioxol-5-yl)-2…
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) | 1.47 | 4.5 | -18.09 | 0 | 6 | 0 | 59 | 304.346 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 6.64 | -60.43 | 1 | 6 | 1 | 60 | 305.354 | 4 | ↓ |