| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 29 | Yes |
Popular Name: 1-[4-(trifluoromethyl)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridyl]piperazine 1-[4-(trifluoromethyl)phenyl]sul…
| 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) | 3.68 | 7.89 | -10.66 | 0 | 5 | 0 | 54 | 439.381 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1-1-E | 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 75 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1_MOUSE | P50172 | 11-beta-hydroxysteroid Dehydrogenase 1, Mouse | 75 | 0.34 | Binding ≤ 1μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 14 | 0.38 | Binding ≤ 1μM |
| DHI1_MOUSE | P50172 | 11-beta-hydroxysteroid Dehydrogenase 1, Mouse | 75 | 0.34 | Binding ≤ 10μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 14 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glucocorticoid biosynthesis |
