| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2008 | 32 | 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) | 7.07 | 11.22 | -11.77 | 2 | 4 | 0 | 65 | 420.512 | 5 | ↓ |
| Hi High (pH 8-9.5) | 7.07 | 12.2 | -54.22 | 1 | 4 | -1 | 68 | 419.504 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 7.07 | 12.52 | -37.03 | 3 | 4 | 1 | 67 | 421.52 | 5 | ↓ |
