| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 37 | No |
Popular Name: 4-[(Methyl-piperidin-4-yl-amino)-methyl]-benzonitrile hydrochloride 4-[(Methyl-piperidin-4-yl-amino)…
| 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) | 4.91 | 11.44 | -14.19 | 0 | 6 | 0 | 64 | 535.563 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR-1-E | Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.34 | Binding ≤ 10μM |
| GCR-1-E | Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 0.9 | 0.34 | Binding ≤ 1μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 0.9 | 0.34 | Binding ≤ 10μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 6.8 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression |
