In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2008 | 31 | Yes |
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) | 4.82 | 11.03 | -16.21 | 1 | 7 | 0 | 89 | 466.979 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.28 | 9.92 | -44.93 | 0 | 7 | -1 | 92 | 465.971 | 5 | ↓ |