| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2008 | 30 | 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) | 2.57 | 4.53 | -47.91 | 2 | 8 | 1 | 105 | 458.626 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 2.45 | -18.93 | 1 | 8 | 0 | 104 | 457.618 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 4.12 | -41.66 | 1 | 8 | 0 | 107 | 457.618 | 6 | ↓ |
