| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 34 | 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) | 3.58 | 6.22 | -19.44 | 3 | 8 | 0 | 108 | 463.534 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 6.79 | -50.01 | 1 | 8 | -1 | 107 | 462.526 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 6.5 | -62.84 | 1 | 8 | -1 | 107 | 462.526 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 7.36 | -44.84 | 2 | 8 | -1 | 111 | 462.526 | 9 | ↓ |
