| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 31 | Yes |
| 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) | 5.12 | 9.04 | -19.31 | 0 | 4 | 0 | 60 | 442.462 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NR1H2-1-E | LXR-beta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 53 | 0.33 | Binding ≤ 10μM |
| NR1H2-1-E | LXR-beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 580 | 0.28 | Functional ≤ 10μM |
| Z80548-1-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other | Other | 72 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NR1H2_HUMAN | P55055 | LXR-beta, Human | 53 | 0.33 | Binding ≤ 1μM |
| NR1H2_HUMAN | P55055 | LXR-beta, Human | 53 | 0.33 | Binding ≤ 10μM |
| NR1H2_HUMAN | P55055 | LXR-beta, Human | 1700 | 0.26 | Functional ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 1090 | 0.27 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
No pre-computed analogs available. Try a structural similarity search.