In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 24th, 2010 | 24 | Yes |
Popular Name: (2R)-N-(2-adamantyl)-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxamide (2R)-N-(2-adamantyl)-1-(3,3,3-tr…
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) | 3.81 | 9.74 | -39.87 | 2 | 3 | 1 | 34 | 345.429 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.81 | 7.49 | -8.34 | 1 | 3 | 0 | 32 | 344.421 | 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 | 0 | 0.00 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 0.32 | 0.55 | Binding ≤ 1μM |
DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 0.32 | 0.55 | Binding ≤ 10μM |
Description | Species |
---|---|
Glucocorticoid biosynthesis |