| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2006 | 20 | Yes |
Popular Name: 2-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one 2-[2-(2,4-dihydroxyphenyl)-2-oxo…
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| 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) | 1.96 | 1.77 | -15.76 | 3 | 6 | 0 | 103 | 292.316 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 0.57 | -93.79 | 1 | 6 | -2 | 109 | 290.3 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 0.8 | -102.66 | 1 | 6 | -2 | 109 | 290.3 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | -0.21 | -48.21 | 2 | 6 | -1 | 106 | 291.308 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 1.17 | -20.75 | 3 | 6 | 0 | 103 | 292.316 | 4 | ↓ |
