In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 23 | Yes |
Popular Name: 1-[4-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]piperazin-1-yl]butan-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) | 2.03 | 5.26 | -17.82 | 0 | 6 | 0 | 59 | 318.373 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 7.41 | -60.49 | 1 | 6 | 1 | 60 | 319.381 | 5 | ↓ |