| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 27 | Yes |
Popular Name: (2R)-N-[2-(4-benzyloxyphenoxy)ethyl]-2-phenyl-propan-1-amine (2R)-N-[2-(4-benzyloxyphenoxy)et…
| 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) | 5.68 | 12.57 | -47.43 | 2 | 3 | 1 | 35 | 362.493 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.68 | 11.25 | -6.97 | 1 | 3 | 0 | 30 | 361.485 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT-4-E | Squalene Synthetase (cluster #4 Of 4), Eukaryotic | Eukaryotes | 10 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 10 | 0.41 | Binding ≤ 1μM |
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 10 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
