| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 15 | No |
| 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) | -3.52 | -5.31 | -55.6 | 6 | 7 | 1 | 115 | 217.249 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.34 | -6.59 | -56.91 | 5 | 7 | 0 | 121 | 216.241 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.52 | -5.7 | -12.03 | 5 | 7 | 0 | 113 | 216.241 | 6 | ↓ |
