In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2008 | 31 | 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) | 9.52 | 19.03 | -45.37 | 1 | 3 | -1 | 60 | 439.745 | 27 | ↓ |
Lo Low (pH 4.5-6) | 9.52 | 17.05 | -7.08 | 2 | 3 | 0 | 58 | 440.753 | 27 | ↓ |