| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 33 | 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) | 4.62 | 9.94 | -16.17 | 2 | 7 | 0 | 109 | 462.527 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.81 | 8.36 | -47.06 | 1 | 7 | -1 | 115 | 461.519 | 8 | ↓ |
