| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 20 | No |
Popular Name: (5R)-5-isopropyl-2-[2-(trifluoromethyl)anilino]thiazol-4-one (5R)-5-isopropyl-2-[2-(trifluoro…
| 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) | 3.37 | 7.26 | -34 | 0 | 3 | -1 | 44 | 301.313 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 7.65 | -7.72 | 1 | 3 | 0 | 41 | 302.321 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1-3-E | 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 28 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 2 | 0.61 | Binding ≤ 1μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 2 | 0.61 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glucocorticoid biosynthesis |
