| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2012 | 19 | Yes |
Popular Name: 1,4-Cyclohexanedimethanol adipate 1,4-Cyclohexanedimethanol adipate
Find On: PubMed — Wikipedia — Google
CAS Number: [33478-30-7]
| 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) | 1.72 | 6.78 | -47.2 | 1 | 5 | -1 | 87 | 271.333 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.72 | 4.8 | -10.13 | 2 | 5 | 0 | 84 | 272.341 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4525424 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.