| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2009 | 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) | 4.20 | 6.99 | -9.96 | 2 | 6 | 0 | 82 | 456.326 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 8.25 | -40.3 | 1 | 6 | -1 | 85 | 455.318 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 7.74 | -15.31 | 1 | 6 | 0 | 85 | 455.318 | 4 | ↓ |
