| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 6th, 2008 | 36 | No |
Popular Name: difluoro-hydroxy-dimethyl-[(3R)-2-oxotetrahydrofuran-3-yl]sulfanyl-propyl-BLAHone difluoro-hydroxy-dimethyl-[(3R)-…
| 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) | 3.34 | 11.27 | -18.25 | 1 | 6 | 0 | 82 | 526.642 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR-2-E | Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 6.4 | 0.32 | Binding ≤ 1μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 6.4 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression |
