| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 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 | 5.88 | -52.15 | 3 | 6 | 1 | 78 | 450.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 3.55 | -10.79 | 2 | 6 | 0 | 77 | 449.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 6.34 | -30.57 | 2 | 6 | 0 | 81 | 449.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 4 | -40.52 | 1 | 6 | -1 | 80 | 448.326 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 5.95 | -44.52 | 3 | 6 | 1 | 78 | 450.342 | 5 | ↓ |
