| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 19 | Yes |
Popular Name: 1-(2,4-dihydroxyphenyl)-2-(4-hydroxypyrimidin-2-yl)sulfanyl-ethanone 1-(2,4-dihydroxyphenyl)-2-(4-hyd…
| 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) | 1.52 | 1.17 | -15.86 | 3 | 6 | 0 | 103 | 278.289 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | -0.14 | -92.42 | 1 | 6 | -2 | 109 | 276.273 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 0.19 | -100.5 | 1 | 6 | -2 | 109 | 276.273 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | -0.82 | -46.39 | 2 | 6 | -1 | 106 | 277.281 | 4 | ↓ |
