In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2009 | 29 | 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) | 0.80 | 7.75 | -87.21 | 3 | 6 | 0 | 93 | 413.371 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.94 | 6.79 | -71.3 | 4 | 6 | 1 | 96 | 414.379 | 3 | ↓ |