| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 40 | 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) | 8.49 | 20.36 | -78.2 | 2 | 4 | 2 | 27 | 558.832 | 13 | ↓ |
| Hi High (pH 8-9.5) | 8.49 | 18.2 | -40.4 | 1 | 4 | 1 | 26 | 557.824 | 13 | ↓ |
| Hi High (pH 8-9.5) | 8.49 | 15.65 | -9.01 | 0 | 4 | 0 | 25 | 556.816 | 13 | ↓ |
| Hi High (pH 8-9.5) | 8.49 | 17.81 | -35.79 | 1 | 4 | 1 | 26 | 557.824 | 13 | ↓ |
