| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 12 | Yes |
Popular Name: beta-(4-fluorophenyl)alaninol beta-(4-fluorophenyl)alaninol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1260817-75-1 , 228422-49-9 , 35373-69-4 , 612532-52-2
(S)-beta-(4-fluorophenyl)alaninol
2-amino-3-(4-fluorophenyl)propan-1-ol
| 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) | 0.51 | 0.75 | -44.84 | 4 | 2 | 1 | 48 | 170.207 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 0.45 | -6.17 | 3 | 2 | 0 | 46 | 169.199 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0443983A1; EP0443983B1; WO1997046553A1; WO1998030574A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.