| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 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) | 3.87 | 6.8 | -12.61 | 3 | 6 | 0 | 95 | 413.886 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.51 | 2.11 | -48.81 | 2 | 6 | -1 | 102 | 412.878 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.51 | 6.09 | -38.24 | 3 | 6 | 0 | 103 | 413.886 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 4.05 | -13.06 | 3 | 6 | 0 | 99 | 413.886 | 4 | ↓ |
