| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2010 | 30 | 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) | 1.19 | -8.65 | -24.71 | 6 | 12 | 0 | 203 | 452.474 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | -6.56 | -54.98 | 5 | 12 | -1 | 206 | 451.466 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | -5.76 | -132.93 | 4 | 12 | -2 | 209 | 450.458 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | -7.9 | -54.07 | 5 | 12 | -1 | 206 | 451.466 | 5 | ↓ |
