In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 31 | Yes |
Popular Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one 4-[3-[4-(1,3-benzodioxol-5-ylmet…
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 | 6.54 | -16.21 | 0 | 8 | 0 | 72 | 423.469 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 8.82 | -59.72 | 1 | 8 | 1 | 73 | 424.477 | 5 | ↓ |