| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 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) | 3.47 | 7.21 | -61.63 | 0 | 7 | -1 | 82 | 514.396 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | -1.39 | -47.34 | 1 | 7 | 1 | 77 | 516.412 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 9.54 | -72.72 | 1 | 7 | 0 | 83 | 515.404 | 7 | ↓ |
