| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 35 | 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) | 3.31 | 8.83 | -53.97 | 2 | 8 | 0 | 104 | 482.577 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 6.49 | -46.04 | 1 | 8 | -1 | 102 | 481.569 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 8 | -45.44 | 3 | 8 | 1 | 101 | 483.585 | 11 | ↓ |
