In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 24 | Yes |
Popular Name: [4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-phenyl-methanone [4-(1,3-benzodioxol-4-ylmethyl)p…
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) | 2.06 | 6.29 | -11.74 | 0 | 5 | 0 | 42 | 324.38 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 8.5 | -45.93 | 1 | 5 | 1 | 43 | 325.388 | 3 | ↓ |