| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 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) | 2.50 | 8.63 | -68.67 | 1 | 8 | 0 | 100 | 449.507 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 6.3 | -63.68 | 0 | 8 | -1 | 99 | 448.499 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7.81 | -45.5 | 2 | 8 | 1 | 97 | 450.515 | 9 | ↓ |
