| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2011 | 30 | No |
Popular Name: methyl methyl
| 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) | 4.93 | 9.57 | -12.18 | 1 | 5 | 0 | 76 | 453.894 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NR1H2-1-E | LXR-beta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 430 | 0.30 | Binding ≤ 10μM |
| NR1H3-1-E | LXR-alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 73 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NR1H3_HUMAN | Q13133 | LXR-alpha, Human | 73 | 0.33 | Binding ≤ 1μM |
| NR1H2_HUMAN | P55055 | LXR-beta, Human | 21 | 0.36 | Binding ≤ 1μM |
| NR1H3_HUMAN | Q13133 | LXR-alpha, Human | 1390 | 0.27 | Binding ≤ 10μM |
| NR1H2_HUMAN | P55055 | LXR-beta, Human | 21 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
