| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 27 | 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) | 5.25 | 5.98 | -11.51 | 2 | 6 | 0 | 84 | 404.875 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.70 | 5.14 | -106.61 | 0 | 6 | -2 | 90 | 402.859 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.25 | 6.9 | -50.46 | 1 | 6 | -1 | 87 | 403.867 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 6.08 | -43.17 | 1 | 6 | -1 | 83 | 403.867 | 6 | ↓ |
