| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 25 | 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) | 3.75 | 3.18 | -43.13 | 1 | 6 | -1 | 95 | 467.626 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 3.96 | -90.48 | 0 | 6 | -2 | 98 | 466.618 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.29 | 5.83 | -9.91 | 2 | 6 | 0 | 92 | 468.634 | 2 | ↓ |
