| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 45 | No |
Popular Name: Acetyl Podocarpic Acid Anhydride Acetyl Podocarpic Acid Anhydride
Find On: PubMed — Wikipedia — Google
CAS Number: 344327-48-6
| 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) | 8.30 | 21.53 | -23.54 | 0 | 7 | 0 | 96 | 614.779 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NR1H2-2-E | LXR-beta (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2 | 0.27 | Binding ≤ 10μM |
| NR1H2-2-E | LXR-beta (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3 | 0.27 | Binding ≤ 10μM |
| NR1H3-1-E | LXR-alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| NR1H3-1-E | LXR-alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NR1H3_HUMAN | Q13133 | LXR-alpha, Human | 10 | 0.25 | Binding ≤ 1μM |
| NR1H2_HUMAN | P55055 | LXR-beta, Human | 10 | 0.25 | Binding ≤ 1μM |
| NR1H3_HUMAN | Q13133 | LXR-alpha, Human | 10 | 0.25 | Binding ≤ 10μM |
| NR1H2_HUMAN | P55055 | LXR-beta, Human | 10 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
No pre-computed analogs available. Try a structural similarity search.