| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 34 | Yes |
| 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) | 5.69 | 0.08 | -68.61 | 0 | 6 | -1 | 83 | 449.534 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.69 | 0.24 | -80.37 | 1 | 6 | 0 | 84 | 450.542 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.69 | 0.45 | -161.77 | 3 | 6 | 2 | 87 | 452.558 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.69 | 0.29 | -88.42 | 2 | 6 | 1 | 86 | 451.55 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.69 | 0.31 | -76.15 | 2 | 6 | 1 | 86 | 451.55 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.69 | 0.15 | -44.94 | 1 | 6 | 0 | 84 | 450.542 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.69 | 0.39 | -143.35 | 2 | 6 | 1 | 86 | 451.55 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.69 | 0.22 | -89.33 | 1 | 6 | 0 | 84 | 450.542 | 7 | ↓ |
