| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2006 | 18 | Yes |
None
| 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) | 5.72 | 4.89 | -3.75 | 2 | 2 | 0 | 40 | 323.99 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.72 | 6.23 | -104.29 | 0 | 2 | -2 | 46 | 321.974 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.72 | 5.65 | -30.02 | 1 | 2 | -1 | 43 | 322.982 | 1 | ↓ |
