| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 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) | 3.50 | 7.25 | -57.45 | 0 | 7 | -1 | 82 | 514.396 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 9.1 | -45.9 | 2 | 7 | 1 | 81 | 516.412 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.91 | 9.76 | -49.61 | 1 | 7 | 1 | 77 | 516.412 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 9.6 | -69.7 | 1 | 7 | 0 | 83 | 515.404 | 7 | ↓ |
