In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 24 | Yes |
Popular Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenol 4-[[4-(1,3-benzodioxol-5-ylmethy…
None
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) | 2.44 | 5.17 | -45.66 | 2 | 5 | 1 | 46 | 327.404 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 5.11 | -46.91 | 2 | 5 | 1 | 46 | 327.404 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 2.79 | -9.79 | 1 | 5 | 0 | 45 | 326.396 | 4 | ↓ |