| 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) | 3.37 | 7.15 | -57.52 | 0 | 7 | -1 | 82 | 469.945 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 9 | -46 | 2 | 7 | 1 | 81 | 471.961 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 9.66 | -49.62 | 1 | 7 | 1 | 77 | 471.961 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 9.49 | -69.92 | 1 | 7 | 0 | 83 | 470.953 | 7 | ↓ |
