| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 36 | 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) | 6.48 | 12.31 | -11.74 | 2 | 6 | 0 | 78 | 502.014 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.25 | 12.88 | -46.48 | 0 | 6 | -1 | 77 | 501.006 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.25 | 12.66 | -55.63 | 0 | 6 | -1 | 77 | 501.006 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.48 | 13.43 | -40.45 | 1 | 6 | -1 | 81 | 501.006 | 7 | ↓ |
