In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2008 | 25 | 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) | 4.72 | 9.96 | -40.83 | 0 | 4 | -1 | 58 | 455.14 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.26 | 11.03 | -11.61 | 1 | 4 | 0 | 55 | 456.148 | 2 | ↓ |