| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 29 | 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) | 4.31 | 7.9 | -9.36 | 2 | 6 | 0 | 78 | 456.34 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 7.69 | -54.66 | 0 | 6 | -1 | 77 | 455.332 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 8.44 | -54.45 | 0 | 6 | -1 | 77 | 455.332 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 8.72 | -45.83 | 1 | 6 | -1 | 81 | 455.332 | 5 | ↓ |
