| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 24 | No |
Popular Name: (E)-7-[(1S,5S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic (E)-7-[(1S,5S)-5-[(E,3S)-3-hydro…
| 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) | 3.76 | 10.6 | -48.46 | 1 | 4 | -1 | 77 | 333.448 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 8.62 | -12 | 2 | 4 | 0 | 75 | 334.456 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 8.84 | -12.76 | 2 | 4 | 0 | 75 | 334.456 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 8.45 | -13.79 | 2 | 4 | 0 | 75 | 334.456 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 8.95 | -13.62 | 2 | 4 | 0 | 75 | 334.456 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US3954844; US6031001 | IBM Patent Data |
