| 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) | 3.45 | 6.66 | -17.74 | 2 | 8 | 0 | 97 | 451.523 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.06 | -54.74 | 0 | 8 | -1 | 96 | 450.515 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 6.72 | -58.54 | 0 | 8 | -1 | 96 | 450.515 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 7.65 | -42.45 | 1 | 8 | -1 | 100 | 450.515 | 8 | ↓ |
