In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 28 | Yes |
Popular Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone 1-[4-(1,3-benzodioxol-5-ylmethyl…
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) | 3.08 | 7.55 | -15.55 | 0 | 6 | 0 | 51 | 382.46 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 9.76 | -59.75 | 1 | 6 | 1 | 52 | 383.468 | 6 | ↓ |