| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 20 | Yes |
Popular Name: 1-[2-hydroxy-4-[(1R,3R)-3-hydroxycyclopentoxy]-3-propyl-phenyl]ethanone 1-[2-hydroxy-4-[(1R,3R)-3-hydrox…
| 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) | 2.85 | 4.64 | -10.48 | 2 | 4 | 0 | 67 | 278.348 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 5.64 | -54.81 | 1 | 4 | -1 | 70 | 277.34 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0292977A1; EP0292977B1; US4889871 | IBM Patent Data |
