| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 28 | 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) | 3.07 | 8.81 | -103.34 | 4 | 5 | 2 | 53 | 409.018 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 7.67 | -38.74 | 3 | 5 | 1 | 49 | 408.01 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 9.56 | -104.06 | 4 | 5 | 2 | 50 | 409.018 | 8 | ↓ |
