| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | Yes |
Popular Name: 4-PHENYLBUTYLAMINE 4-PHENYLBUTYLAMINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13214-66-9 , 22374-89-6 , 30684-06-1 , N/A , [30684-06-1]
| 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) | 1.71 | 4.81 | -43.69 | 3 | 1 | 1 | 28 | 150.245 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 144 / 42 | TCI |
| ALOGPS_SOLUBILITY | 4.32e-01 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0034461A1; EP0846679B1; US4374840; US4440774; US4482562; US4567276; US4642311; US4853383; US5902899 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US4579870; US4722940; US4906668; WO1996022966A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.