| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 28 | 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) | 3.81 | 7.07 | -13.1 | 2 | 6 | 0 | 78 | 442.313 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 7.31 | -56.06 | 0 | 6 | -1 | 77 | 441.305 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 7.52 | -43.72 | 0 | 6 | -1 | 77 | 441.305 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 7.97 | -43.32 | 1 | 6 | -1 | 81 | 441.305 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 7.84 | -52.21 | 1 | 6 | -1 | 81 | 441.305 | 6 | ↓ |
