In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 30 | Yes |
None
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) | 4.08 | 9.31 | -11.4 | 1 | 6 | 0 | 60 | 412.44 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.08 | 9.78 | -37.72 | 2 | 6 | 1 | 61 | 413.448 | 6 | ↓ |