| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 45 | 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) | 9.23 | 18.27 | -13.57 | 2 | 8 | 0 | 114 | 612.767 | 14 | ↓ |
| Hi High (pH 8-9.5) | 9.23 | 19.27 | -53.33 | 1 | 8 | -1 | 116 | 611.759 | 14 | ↓ |
