In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | 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) | 4.54 | 9.5 | -52.96 | 1 | 3 | -1 | 52 | 268.336 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.54 | 7.53 | -7.38 | 2 | 3 | 0 | 49 | 269.344 | 5 | ↓ |