| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 36 | No |
None
| 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) | 6.31 | 18.89 | -85.48 | 2 | 5 | 2 | 44 | 488.672 | 12 | ↓ |
| Hi High (pH 8-9.5) | 6.31 | 13.72 | -15.77 | 0 | 5 | 0 | 42 | 486.656 | 12 | ↓ |
| Hi High (pH 8-9.5) | 6.31 | 16.31 | -42.66 | 1 | 5 | 1 | 43 | 487.664 | 12 | ↓ |
| Hi High (pH 8-9.5) | 6.31 | 16.3 | -36.75 | 1 | 5 | 1 | 43 | 487.664 | 12 | ↓ |
