| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 21 | Yes |
Popular Name: 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone 1-adamantyl-[4-(2-hydroxyethyl)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) | 1.86 | 3.2 | -9.78 | 1 | 4 | 0 | 44 | 292.423 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 5.53 | -44.53 | 2 | 4 | 1 | 45 | 293.431 | 3 | ↓ |
| 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 | 494 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1_MOUSE | P50172 | 11-beta-hydroxysteroid Dehydrogenase 1, Mouse | 494 | 0.42 | Binding ≤ 1μM |
| DHI1_MOUSE | P50172 | 11-beta-hydroxysteroid Dehydrogenase 1, Mouse | 494 | 0.42 | Binding ≤ 10μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 1470 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glucocorticoid biosynthesis |
