| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 27 | 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) | 3.26 | 2.69 | -45 | 1 | 7 | -1 | 104 | 450.652 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 3.62 | -96.47 | 0 | 7 | -2 | 107 | 449.644 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 5.35 | -12.45 | 2 | 7 | 0 | 101 | 451.66 | 3 | ↓ |
