| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 27 | 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) | 3.51 | 3.48 | -47.27 | 1 | 7 | -1 | 104 | 497.652 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 4.41 | -98.05 | 0 | 7 | -2 | 107 | 496.644 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 6.15 | -13.19 | 2 | 7 | 0 | 101 | 498.66 | 3 | ↓ |
