In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 19 | 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) | 0.52 | 2.85 | -40.39 | 4 | 5 | 1 | 87 | 257.317 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.52 | 3.31 | -76.02 | 5 | 5 | 2 | 88 | 258.325 | 6 | ↓ |