| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 29 | 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) | 3.56 | 8.07 | -45.06 | 1 | 6 | -1 | 87 | 472.34 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 8.83 | -98.71 | 0 | 6 | -2 | 90 | 471.332 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.11 | 9.14 | -14.1 | 2 | 6 | 0 | 84 | 473.348 | 5 | ↓ |
