| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 31 | No |
Popular Name: 1-[4-[6-(2,3-dihydroxy-4-isopropyl-phenyl)hexoxy]-2-hydroxy-3-propyl-phenyl]ethanone 1-[4-[6-(2,3-dihydroxy-4-isoprop…
| 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) | 6.89 | 10.17 | -12.94 | 3 | 5 | 0 | 87 | 428.569 | 12 | ↓ |
| Hi High (pH 8-9.5) | 6.89 | 11.07 | -56.98 | 2 | 5 | -1 | 90 | 427.561 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5025036 | IBM Patent Data |
