In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 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) | 3.90 | 12.07 | -13.81 | 0 | 5 | 0 | 51 | 412.537 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.90 | 12.59 | -30.37 | 1 | 5 | 1 | 52 | 413.545 | 5 | ↓ |