| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 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) | 3.73 | 11.37 | -71.11 | 1 | 7 | 0 | 87 | 448.519 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 9.19 | -61.19 | 0 | 7 | -1 | 86 | 447.511 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 10.4 | -44.52 | 2 | 7 | 1 | 84 | 449.527 | 9 | ↓ |
