In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 30 | No |
Popular Name: 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-5-hydroxy-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) | 3.22 | 8.08 | -51.43 | 2 | 7 | 1 | 90 | 410.425 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 6.62 | -41.11 | 0 | 7 | -1 | 91 | 408.409 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 8.85 | -66.04 | 1 | 7 | 0 | 93 | 409.417 | 4 | ↓ |