| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 30 | No |
| 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) | 2.71 | -1.07 | -22.96 | 6 | 10 | 0 | 174 | 414.322 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | -0.15 | -55.83 | 5 | 10 | -1 | 177 | 413.314 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | -0.04 | -52.86 | 5 | 10 | -1 | 177 | 413.314 | 6 | ↓ |
