| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2010 | 12 | 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) | -2.51 | -2.39 | -111.23 | 6 | 5 | 2 | 83 | 175.232 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.32 | -7.2 | -47.99 | 4 | 5 | 0 | 84 | 173.216 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.32 | -5.84 | -68.4 | 5 | 5 | 1 | 89 | 174.224 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.51 | -3.74 | -54.42 | 5 | 5 | 1 | 78 | 174.224 | 3 | ↓ |
