| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 32 | 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) | 3.55 | 9.82 | -64.34 | 0 | 7 | -1 | 92 | 447.492 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | -0.89 | -16.01 | 0 | 7 | 0 | 85 | 448.5 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 9.25 | -23.54 | 1 | 7 | 0 | 89 | 448.5 | 4 | ↓ |
