| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 23 | Yes |
Popular Name: (3R,7R)-3,7,11-trimethyl-N-(3-pyridylmethyl)dodecan-1-amine (3R,7R)-3,7,11-trimethyl-N-(3-py…
| 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) | 5.50 | 12.49 | -43.38 | 2 | 2 | 1 | 29 | 319.557 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 5.50 | 12.78 | -103.29 | 3 | 2 | 2 | 31 | 320.565 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT-3-E | Squalene Synthetase (cluster #3 Of 4), Eukaryotic | Eukaryotes | 7000 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 7000 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
