| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 34 | Yes |
| 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) | 4.61 | 8.32 | -14.97 | 2 | 8 | 0 | 97 | 465.55 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.38 | 8.92 | -61.01 | 0 | 8 | -1 | 96 | 464.542 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.38 | 8.94 | -50.29 | 0 | 8 | -1 | 96 | 464.542 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 9.59 | -43.56 | 1 | 8 | -1 | 100 | 464.542 | 8 | ↓ |
