| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 29 | Yes |
Popular Name: (5E,9E,13E,17E)-5,9,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ol (5E,9E,13E,17E)-5,9,14,18,22-pen…
| 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) | 9.11 | 17.15 | -4.29 | 1 | 1 | 0 | 20 | 400.691 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG1-2-E | Squalene Monooxygenase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 4000 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG1_HUMAN | Q14534 | Squalene Monooxygenase, Human | 4000 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis |
