| 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 | 7.84 | -12.38 | 3 | 7 | 0 | 99 | 489.959 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 7.64 | -57.31 | 1 | 7 | -1 | 98 | 488.951 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 8.2 | -52.36 | 1 | 7 | -1 | 98 | 488.951 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.79 | 8.66 | -44.4 | 2 | 7 | -1 | 102 | 488.951 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.79 | 8.6 | -50.53 | 2 | 7 | -1 | 102 | 488.951 | 7 | ↓ |
