| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2009 | 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) | 1.79 | 4.22 | -43.84 | 5 | 12 | 1 | 162 | 414.45 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 1.9 | -18.95 | 4 | 12 | 0 | 161 | 413.442 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 2.7 | -64.43 | 3 | 12 | -1 | 163 | 412.434 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 5.02 | -64.13 | 4 | 12 | 0 | 165 | 413.442 | 8 | ↓ |
