| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2008 | 19 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-(4-hydroxypyrimidin-2-yl)sulfanyl-ethanone 1-(3,4-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) | 1.11 | 0.71 | -17.05 | 3 | 6 | 0 | 103 | 278.289 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 0.39 | -93.16 | 1 | 6 | -2 | 109 | 276.273 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | -0.41 | -49.22 | 2 | 6 | -1 | 106 | 277.281 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | -0.01 | -23.19 | 3 | 6 | 0 | 103 | 278.289 | 4 | ↓ |
