| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2008 | 30 | 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) | 1.96 | 8.06 | -45.88 | 1 | 8 | 1 | 64 | 414.53 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 5.59 | -13.69 | 0 | 8 | 0 | 63 | 413.522 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 10.4 | -102.97 | 2 | 8 | 2 | 66 | 415.538 | 6 | ↓ |
