| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 30 | 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) | 3.85 | 6.56 | -16.8 | 3 | 6 | 0 | 89 | 443.956 | 6 | ↓ |
| Ref Reference (pH 7) | 3.85 | 5.91 | -14.16 | 3 | 6 | 0 | 89 | 443.956 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 6.68 | -42.46 | 1 | 6 | -1 | 88 | 442.948 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 6.21 | -52.49 | 1 | 6 | -1 | 88 | 442.948 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.85 | 6.75 | -39.53 | 2 | 6 | -1 | 92 | 442.948 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 6.67 | -52.07 | 2 | 6 | -1 | 92 | 442.948 | 6 | ↓ |
