In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 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) | 5.44 | 14.81 | -17.45 | 0 | 4 | 0 | 46 | 447.629 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.44 | 15.27 | -50.81 | 1 | 4 | 1 | 47 | 448.637 | 7 | ↓ |