| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 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) | 2.51 | 10.17 | -68.17 | 1 | 8 | 0 | 111 | 413.405 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 7.63 | -49.23 | 0 | 8 | -1 | 109 | 412.397 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.51 | 9.35 | -57.26 | 2 | 8 | 1 | 108 | 414.413 | 7 | ↓ |
