| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 30 | Yes |
Popular Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2-naphthylsulfonyl)piperazine 1-[3-chloro-5-(trifluoromethyl)p…
| 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) | 4.63 | 9.76 | -10.18 | 0 | 5 | 0 | 54 | 455.889 | 4 | ↓ |
| 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 | 33 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 32.7 | 0.35 | Binding ≤ 1μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 32.7 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glucocorticoid biosynthesis |
