| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 11th, 2009 | 23 | No |
Popular Name: (1E,6E)-1,7-Bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione (1E,6E)-1,7-Bis(4-hydroxyphenyl)…
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CAS Number: 33171-05-0
| 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) | 2.67 | 6.96 | -19.15 | 2 | 4 | 0 | 75 | 308.333 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 5.49 | -55.64 | 2 | 4 | -1 | 81 | 307.325 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.