In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 25 | Yes |
Popular Name: 4-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-1,4-benzoxazin-3-one 4-[(4-fluorophenyl)methyl]-6-pip…
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) | 2.17 | 6.31 | -54.54 | 2 | 5 | 1 | 49 | 342.394 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 4.9 | -7.79 | 1 | 5 | 0 | 45 | 341.386 | 3 | ↓ |