| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2007 | 29 | 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) | 5.54 | 11.17 | -15.96 | 2 | 6 | 0 | 68 | 449.001 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.54 | 11.8 | -44.51 | 1 | 6 | -1 | 71 | 447.993 | 4 | ↓ |
