In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 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) | 5.67 | 11.54 | -9.35 | 1 | 4 | 0 | 47 | 413.924 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.67 | 12.21 | -28.16 | 2 | 4 | 1 | 48 | 414.932 | 5 | ↓ |