| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 32 | 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) | 3.98 | 11.56 | -78.7 | 2 | 6 | 0 | 85 | 450.922 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 9.87 | -132.89 | 0 | 6 | -2 | 87 | 448.906 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 12.41 | -136.23 | 1 | 6 | -1 | 88 | 449.914 | 6 | ↓ |
