| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2011 | 16 | Yes |
Popular Name: 4-(1-Methylpiperidin-4-yl)benzoic acid 4-(1-Methylpiperidin-4-yl)benzoi…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 281234-85-3 , N/A , [281234-85-3]
| 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) | 2.72 | 8.69 | -78.16 | 1 | 3 | 0 | 45 | 219.284 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000039087A2 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.