| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 27 | 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) | 4.98 | 8.34 | -12.39 | 2 | 6 | 0 | 84 | 430.302 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.43 | 6.6 | -41.7 | 1 | 6 | -1 | 87 | 429.294 | 5 | ↓ |
