| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2005 | 30 | 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) | 4.27 | 13.75 | -20.14 | 1 | 6 | 0 | 69 | 418.522 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 13.3 | -45.31 | 0 | 6 | -1 | 71 | 417.514 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.45 | 13.68 | -46.82 | 0 | 6 | -1 | 71 | 417.514 | 5 | ↓ |
