| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 29 | Yes |
Popular Name: 1-[4-[5-(3,4-dimethoxyphenyl)pentoxy]-2-hydroxy-3-propyl-phenyl]ethanone 1-[4-[5-(3,4-dimethoxyphenyl)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) | 5.58 | 11.41 | -15.28 | 1 | 5 | 0 | 65 | 400.515 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.58 | 12.41 | -58.9 | 0 | 5 | -1 | 68 | 399.507 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5025036; US5191108 | IBM Patent Data |
