| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2004 | 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) | 4.06 | -7.13 | -15.96 | 2 | 9 | 0 | 138 | 467.912 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | -6.55 | -34.81 | 1 | 9 | -1 | 140 | 466.904 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 5.77 | -84.33 | 0 | 9 | -2 | 142 | 465.896 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 5.65 | -47.9 | 1 | 9 | -1 | 140 | 466.904 | 7 | ↓ |
