| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 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) | 3.49 | 10.71 | -64.11 | 1 | 5 | 0 | 65 | 414.452 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 8.39 | -53.21 | 0 | 5 | -1 | 64 | 413.444 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 9.9 | -49.53 | 2 | 5 | 1 | 62 | 415.46 | 8 | ↓ |
