| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 18 | No |
| 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) | 2.27 | 3.71 | -11.39 | 2 | 5 | 0 | 74 | 245.282 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 2.19 | -48.67 | 1 | 5 | -1 | 81 | 244.274 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 1.69 | -57.71 | 1 | 5 | -1 | 77 | 244.274 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 1.96 | -44.57 | 1 | 5 | -1 | 77 | 244.274 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 1.24 | -47.21 | 1 | 5 | -1 | 81 | 244.274 | 3 | ↓ |
