| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 30 | 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) | 3.47 | 5.78 | -50.17 | 3 | 6 | 1 | 78 | 450.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 3.46 | -11.09 | 2 | 6 | 0 | 77 | 449.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 6.25 | -30.86 | 2 | 6 | 0 | 81 | 449.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 3.91 | -41.89 | 1 | 6 | -1 | 80 | 448.326 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 5.86 | -44.18 | 3 | 6 | 1 | 78 | 450.342 | 5 | ↓ |
