| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 33 | 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) | 4.71 | 14.18 | -11.03 | 1 | 7 | 0 | 82 | 452.392 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.69 | 13.12 | -44.03 | 0 | 7 | -1 | 89 | 451.384 | 5 | ↓ |
