In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 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) | 5.25 | 14.46 | -107.28 | 1 | 9 | -2 | 145 | 560.684 | 15 | ↓ |
Lo Low (pH 4.5-6) | 5.25 | 13.23 | -61.18 | 2 | 9 | -1 | 142 | 561.692 | 15 | ↓ |