| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 20 | Yes |
Popular Name: 4-[4-(4-hydroxy-4-oxo-butanoyl)phenyl]-4-oxo-butanoic 4-[4-(4-hydroxy-4-oxo-butanoyl)p…
| 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) | 0.56 | 8.43 | -91.95 | 0 | 6 | -2 | 114 | 276.244 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.56 | 6.45 | -48.85 | 1 | 6 | -1 | 112 | 277.252 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0208517A2; US4904664 | IBM Patent Data |
