| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 31 | 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) | 3.83 | 7.03 | -17.65 | 3 | 6 | 0 | 89 | 415.424 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 6.82 | -62.72 | 1 | 6 | -1 | 88 | 414.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 7.05 | -54.27 | 1 | 6 | -1 | 88 | 414.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 7.8 | -44.16 | 2 | 6 | -1 | 92 | 414.416 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 7.77 | -54.66 | 2 | 6 | -1 | 92 | 414.416 | 4 | ↓ |
