| 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) | 4.57 | 9 | -12.06 | 2 | 7 | 0 | 88 | 449.551 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 8.83 | -56.98 | 0 | 7 | -1 | 87 | 448.543 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 8.8 | -54.84 | 0 | 7 | -1 | 87 | 448.543 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 9.81 | -49.73 | 1 | 7 | -1 | 91 | 448.543 | 8 | ↓ |
