| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 26 | Yes |
Popular Name: (2Z,4E)-6-[1-(3,5-ditert-butylphenyl)cyclopropyl]-3-methyl-hexa-2,4-dienoic (2Z,4E)-6-[1-(3,5-ditert-butylph…
| 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) | 6.80 | 15.54 | -52.43 | 0 | 2 | -1 | 40 | 353.526 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.80 | 13.51 | -5.57 | 1 | 2 | 0 | 37 | 354.534 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6005007; WO2000026173A1 | IBM Patent Data |
