In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 40 | No |
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) | 7.56 | 17.9 | -53.09 | 0 | 5 | -1 | 84 | 551.788 | 4 | ↓ |
Lo Low (pH 4.5-6) | 7.56 | 15.96 | -9.78 | 1 | 5 | 0 | 81 | 552.796 | 4 | ↓ |