| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 33 | 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) | 3.82 | 7.34 | -15.52 | 2 | 8 | 0 | 97 | 449.507 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 7.4 | -61.64 | 0 | 8 | -1 | 96 | 448.499 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 7.59 | -50.33 | 0 | 8 | -1 | 96 | 448.499 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 8.67 | -43.58 | 1 | 8 | -1 | 100 | 448.499 | 7 | ↓ |
