In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 28 | 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) | 4.31 | 5.66 | -46.26 | 2 | 6 | -1 | 98 | 412.878 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.85 | 6.78 | -17.22 | 3 | 6 | 0 | 95 | 413.886 | 4 | ↓ |