In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 32 | No |
Popular Name: 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-5-nitro-isoindoline-1,3-dione 2-[2-[4-(6-fluoro-1,2-benzoxazol…
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) | 3.66 | 11.63 | -56.07 | 1 | 9 | 1 | 115 | 439.423 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 9.4 | -13.95 | 0 | 9 | 0 | 114 | 438.415 | 5 | ↓ |