| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2007 | 23 | Yes |
| 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) | 3.83 | 8.21 | -16.8 | 1 | 4 | 0 | 62 | 324.405 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 7.76 | -51.74 | 0 | 4 | -1 | 61 | 323.397 | 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 | 48 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 48 | 0.45 | Binding ≤ 1μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 48 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glucocorticoid biosynthesis |
