In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 27 | 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) | 2.56 | 4.81 | -17.39 | 0 | 7 | 0 | 85 | 412.533 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.56 | 5.73 | -40.77 | 1 | 7 | 1 | 87 | 413.541 | 5 | ↓ |