| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 28th, 2008 | 21 | No |
Popular Name: 2-[2-[(E)-3-(4-hydroxyphenyl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile 2-[2-[(E)-3-(4-hydroxyphenyl)-3-…
| 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) | 2.95 | 6.48 | -17.73 | 1 | 4 | 0 | 70 | 279.295 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 7.25 | -54.52 | 0 | 4 | -1 | 73 | 278.287 | 5 | ↓ |
