| 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) | 4.48 | 8.42 | -12.53 | 2 | 7 | 0 | 88 | 447.535 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.25 | 9.19 | -46.66 | 0 | 7 | -1 | 87 | 446.527 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.25 | 8.71 | -54.74 | 0 | 7 | -1 | 87 | 446.527 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 9.25 | -41.19 | 1 | 7 | -1 | 91 | 446.527 | 9 | ↓ |
