| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 19 | Yes |
Popular Name: 4-[(1S,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzonitrile 4-[(1S,2R)-2-hydroxycyclohexyl]-…
| 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) | 3.73 | 6.15 | -8.32 | 1 | 2 | 0 | 44 | 269.266 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-4-E | Androgen Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 26 | 0.56 | Binding ≤ 10μM |
| ANDR-3-E | Androgen Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 90 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 26 | 0.56 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 26 | 0.56 | Binding ≤ 10μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 90 | 0.52 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
