| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 19 | No |
Popular Name: 1-[4-[(3R)-3-bromobutoxy]-2-hydroxy-3-propyl-phenyl]ethanone 1-[4-[(3R)-3-bromobutoxy]-2-hydr…
| 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) | 4.21 | 8.2 | -9.61 | 1 | 3 | 0 | 47 | 329.234 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 9.21 | -53.37 | 0 | 3 | -1 | 49 | 328.226 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4987132 | IBM Patent Data |
