| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 28 | No |
None
| 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) | 3.57 | 6.32 | -13.06 | 2 | 6 | 0 | 80 | 415.902 | 5 | ↓ |
| Ref Reference (pH 7) | 3.38 | 8.79 | -13.34 | 2 | 6 | 0 | 76 | 415.902 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 6.72 | -46.07 | 0 | 6 | -1 | 79 | 414.894 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 8.76 | -11.41 | 2 | 6 | 0 | 76 | 415.902 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 6.33 | -10.54 | 2 | 6 | 0 | 80 | 415.902 | 5 | ↓ |
