| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 26 | 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) | 3.62 | 3.69 | -47.2 | 1 | 6 | -1 | 95 | 414.235 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 4.47 | -96.12 | 0 | 6 | -2 | 98 | 413.227 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 6.35 | -10.86 | 2 | 6 | 0 | 92 | 415.243 | 2 | ↓ |
