In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2009 | 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) | 5.63 | 10.36 | -14.88 | 2 | 6 | 0 | 84 | 481.38 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.81 | 9.29 | -37.49 | 1 | 6 | -1 | 90 | 480.372 | 7 | ↓ |