| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 25 | No |
| 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) | 3.86 | 9.66 | -37.43 | 1 | 5 | -1 | 81 | 356.833 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 9.54 | -41.19 | 1 | 5 | -1 | 81 | 356.833 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 9.84 | -46.69 | 1 | 5 | -1 | 81 | 356.833 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 8.31 | -16.85 | 2 | 5 | 0 | 78 | 357.841 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 8.45 | -38.89 | 3 | 5 | 1 | 80 | 358.849 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 7.08 | -17.81 | 2 | 5 | 0 | 78 | 357.841 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 8.11 | -13.11 | 2 | 5 | 0 | 78 | 357.841 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 8.14 | -16.81 | 2 | 5 | 0 | 78 | 357.841 | 3 | ↓ |
