| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 29 | No |
Popular Name: 4-[6-(3,4-dihydroxyphenyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic 4-[6-(3,4-dihydroxyphenyl)-6-oxo…
| 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) | 4.66 | 6.76 | -60.35 | 3 | 7 | -1 | 127 | 401.435 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.66 | 7.69 | -99.1 | 2 | 7 | -2 | 130 | 400.427 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5025036; US5191108 | IBM Patent Data |
