| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 29 | 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) | 3.78 | 4.1 | -46.1 | 1 | 7 | -1 | 104 | 413.837 | 4 | ↓ |
| Ref Reference (pH 7) | 3.78 | 4.2 | -45.41 | 1 | 7 | -1 | 104 | 413.837 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 5.02 | -102.25 | 0 | 7 | -2 | 107 | 412.829 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 5.81 | -104.84 | 0 | 7 | -2 | 107 | 412.829 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 6.78 | -13.3 | 2 | 7 | 0 | 101 | 414.845 | 4 | ↓ |
