| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 33 | No |
None
None
| 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 | -0.93 | -51 | 6 | 10 | -1 | 184 | 477.877 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 0.06 | -101.4 | 5 | 10 | -2 | 187 | 476.869 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.79 | -1.27 | -60.82 | 6 | 10 | -1 | 184 | 477.877 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 0.46 | -47.51 | 7 | 10 | 0 | 186 | 478.885 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | -0.37 | -124.46 | 5 | 10 | -2 | 187 | 476.869 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.79 | -0.8 | -48.18 | 8 | 10 | 1 | 183 | 479.893 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.79 | -2.25 | -16.46 | 7 | 10 | 0 | 182 | 478.885 | 1 | ↓ |
