| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 40 | 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) | 7.02 | 15.06 | -12.29 | 2 | 6 | 0 | 78 | 529.64 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.79 | 15.26 | -54.92 | 0 | 6 | -1 | 77 | 528.632 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.79 | 15.45 | -46.6 | 0 | 6 | -1 | 77 | 528.632 | 7 | ↓ |
| Hi High (pH 8-9.5) | 7.02 | 15.93 | -49.49 | 1 | 6 | -1 | 81 | 528.632 | 7 | ↓ |
