| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2010 | 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) | 1.96 | 4.52 | -31.89 | 5 | 13 | 1 | 171 | 456.487 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 2.45 | -10.32 | 4 | 13 | 0 | 170 | 455.479 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 3.37 | -44.07 | 3 | 13 | -1 | 173 | 454.471 | 7 | ↓ |
