| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 23 | No |
Popular Name: (4aS)-4a-benzyl-7-hydroxy-3,4,9,10-tetrahydrophenanthren-2-one (4aS)-4a-benzyl-7-hydroxy-3,4,9,…
| 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) | 3.82 | 8.58 | -8.48 | 1 | 2 | 0 | 37 | 304.389 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-2-E | Androgen Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 180 | 0.41 | Binding ≤ 10μM |
| GCR-2-E | Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 157 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 180 | 0.41 | Binding ≤ 1μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 157 | 0.41 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 180 | 0.41 | Binding ≤ 10μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 157 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Nuclear Receptor transcription pathway |
