| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 27 | 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) | 2.49 | 7.55 | -101 | 2 | 6 | 0 | 82 | 397.809 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.49 | 6.21 | -60.46 | 1 | 6 | -1 | 77 | 396.801 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.09 | 6.6 | -75.3 | 3 | 6 | 1 | 85 | 398.817 | 2 | ↓ |
