| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 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 | 5.62 | -48.16 | 3 | 6 | 1 | 78 | 450.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 3.28 | -12.37 | 2 | 6 | 0 | 77 | 449.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 6.24 | -25.33 | 2 | 6 | 0 | 81 | 449.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 3.91 | -45.18 | 1 | 6 | -1 | 80 | 448.326 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 5.66 | -41.45 | 3 | 6 | 1 | 78 | 450.342 | 5 | ↓ |
