| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 31 | 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) | 7.75 | 11.71 | -11.27 | 1 | 4 | 0 | 55 | 428.557 | 5 | ↓ |
| Hi High (pH 8-9.5) | 7.75 | 12.49 | -46.79 | 0 | 4 | -1 | 57 | 427.549 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 7.75 | 12.19 | -27.16 | 2 | 4 | 1 | 56 | 429.565 | 5 | ↓ |
