| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 31 | 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) | 4.99 | 11.02 | -55.35 | 0 | 6 | -1 | 86 | 449.895 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 12.3 | -11.54 | 0 | 6 | 0 | 80 | 450.903 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.44 | 11.03 | -20.37 | 1 | 6 | 0 | 84 | 450.903 | 3 | ↓ |
