| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 27 | No |
Popular Name: 1-[4-[5-(3,4-dihydroxyphenyl)pentoxy]-2-hydroxy-3-propyl-phenyl]ethanone 1-[4-[5-(3,4-dihydroxyphenyl)pen…
| 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) | 4.96 | 7.29 | -15.1 | 3 | 5 | 0 | 87 | 372.461 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.96 | 8.36 | -58.72 | 2 | 5 | -1 | 90 | 371.453 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5025036; US5191108 | IBM Patent Data |
