| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 29 | No |
Popular Name: 20-hydroxycholesterol 20-hydroxycholesterol
Find On: PubMed — Wikipedia — Google
CAS Number: 516-72-3
(20S)-20-Hydroxycholesterol; 20alpha-Hydroxycholesterol
20-Hydroxycholesterol; 20alpha-Hydroxycholesterol; 516-72-3; C05500
| 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) | 6.68 | -0.67 | -2.28 | 2 | 2 | 0 | 40 | 402.663 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | WO2007098281 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NR1H3-2-E | LXR-alpha (cluster #2 Of 2), Eukaryotic | Eukaryotes | 470 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NR1H3_HUMAN | Q13133 | LXR-alpha, Human | 470 | 0.31 | Binding ≤ 1μM |
| NR1H3_HUMAN | Q13133 | LXR-alpha, Human | 470 | 0.31 | Binding ≤ 10μM |
