| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 11 | 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) | -1.99 | -3.99 | -46.4 | 4 | 5 | 1 | 83 | 159.165 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.99 | -5.32 | -12.5 | 3 | 5 | 0 | 78 | 158.157 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.99 | -5.31 | -8.45 | 3 | 5 | 0 | 78 | 158.157 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.80 | -6.45 | -43.4 | 3 | 5 | 0 | 89 | 158.157 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.80 | -6.46 | -37.46 | 3 | 5 | 0 | 89 | 158.157 | 3 | ↓ |
