| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | 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) | 2.48 | 6.71 | -111.28 | 4 | 3 | 2 | 41 | 296.43 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 4.05 | -41.24 | 3 | 3 | 1 | 40 | 295.422 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 6.47 | -30.19 | 3 | 3 | 1 | 40 | 295.422 | 8 | ↓ |
