| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2011 | 27 | Yes |
Popular Name: (2S)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-(4-pyridylmethyl)piperazine (2S)-1-(4-tert-butylphenyl)sulfo…
| 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) | 3.29 | 6.77 | -9.78 | 0 | 5 | 0 | 54 | 387.549 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.29 | 9.02 | -50.82 | 1 | 5 | 1 | 55 | 388.557 | 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 | 146 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 11.3 | 0.41 | Binding ≤ 1μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 11.3 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glucocorticoid biosynthesis |
