| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 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) | 3.03 | 7.77 | -60.02 | 0 | 7 | -1 | 82 | 449.527 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 10.04 | -76.69 | 1 | 7 | 0 | 83 | 450.535 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 9.29 | -52.48 | 2 | 7 | 1 | 81 | 451.543 | 8 | ↓ |
