| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 25 | Yes |
Popular Name: (2R,3R,4aR,10aR)-4a-ethyl-2-phenyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol (2R,3R,4aR,10aR)-4a-ethyl-2-phen…
| 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) | 4.01 | 4.44 | -7.19 | 3 | 3 | 0 | 61 | 338.447 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR-1-E | Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 3.8 | 0.47 | Binding ≤ 1μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 3.8 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression |
