| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 31st, 2005 | 22 | 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) | 4.20 | 7.37 | -11.76 | 2 | 5 | 0 | 78 | 294.31 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 8.12 | -49.06 | 1 | 5 | -1 | 81 | 293.302 | 4 | ↓ |
