| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 31 | Yes |
| 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) | 6.77 | 11.17 | -9.65 | 2 | 5 | 0 | 69 | 458.389 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.54 | 11.58 | -50.68 | 0 | 5 | -1 | 68 | 457.381 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.54 | 11.76 | -40.39 | 0 | 5 | -1 | 68 | 457.381 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.77 | 12.22 | -39.92 | 1 | 5 | -1 | 72 | 457.381 | 6 | ↓ |
