| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 37 | 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) | 4.81 | 9.61 | -68.51 | 1 | 8 | -1 | 112 | 515.567 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.25 | 9.76 | -26.87 | 2 | 8 | 0 | 109 | 516.575 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.22 | 9.76 | -17.42 | 1 | 8 | 0 | 106 | 516.575 | 6 | ↓ |
