| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 32 | 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) | 4.10 | 8.33 | -12.41 | 2 | 6 | 0 | 82 | 448.885 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 9.54 | -40.82 | 0 | 6 | -1 | 81 | 447.877 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 9.07 | -52.26 | 0 | 6 | -1 | 81 | 447.877 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 9.31 | -35.05 | 1 | 6 | -1 | 85 | 447.877 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 9.1 | -48.66 | 1 | 6 | -1 | 85 | 447.877 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.10 | 9.35 | -45.61 | 3 | 6 | 1 | 83 | 449.893 | 4 | ↓ |
