| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 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) | -0.06 | -0.75 | -51.25 | 7 | 10 | 0 | 186 | 478.885 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | -1.86 | -104.68 | 5 | 10 | -2 | 187 | 476.869 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | 1.17 | -94.04 | 4 | 10 | 0 | 184 | 476.869 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | -2.85 | -51.56 | 6 | 10 | -1 | 184 | 477.877 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 2.12 | -68.41 | 6 | 10 | 0 | 182 | 478.885 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 3.12 | -82.91 | 5 | 10 | 0 | 185 | 477.877 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | -0.06 | -124.83 | 6 | 10 | -1 | 188 | 477.877 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | -2.36 | -133.13 | 5 | 10 | -2 | 187 | 476.869 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.64 | -0.23 | -45.51 | 7 | 10 | 0 | 180 | 479.893 | 2 | ↓ |
