| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2006 | 35 | Yes |
| 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) | 4.79 | 7.81 | -11.61 | 3 | 7 | 0 | 99 | 489.959 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 8.21 | -45.52 | 1 | 7 | -1 | 98 | 488.951 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 7.77 | -57.13 | 1 | 7 | -1 | 98 | 488.951 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.79 | 8.56 | -42.1 | 2 | 7 | -1 | 102 | 488.951 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.79 | 8.57 | -49.84 | 2 | 7 | -1 | 102 | 488.951 | 7 | ↓ |
