| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 28 | Yes |
Popular Name: allyl-[[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]thio]BLAHone allyl-[[2-(2,4-dihydroxyphenyl)-…
| 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) | 3.62 | 7.71 | -15.68 | 2 | 6 | 0 | 92 | 414.508 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 8.72 | -52.86 | 1 | 6 | -1 | 95 | 413.5 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 8.48 | -46.98 | 1 | 6 | -1 | 95 | 413.5 | 6 | ↓ |
