| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 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) | 3.79 | 11.34 | -72.71 | 1 | 6 | 0 | 74 | 440.927 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 8.8 | -55.05 | 0 | 6 | -1 | 73 | 439.919 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 10.52 | -55.89 | 2 | 6 | 1 | 71 | 441.935 | 9 | ↓ |
