| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 33 | 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) | 4.77 | 11.12 | -42.76 | 0 | 6 | -1 | 79 | 450.555 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.19 | 1.27 | -20.73 | 0 | 6 | 0 | 72 | 451.563 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.22 | 9.57 | -27.1 | 1 | 6 | 0 | 76 | 451.563 | 8 | ↓ |
