| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2006 | 32 | Yes |
Popular Name: (5Z,7E)-(1S,3R,20R)-24a,24b-dihomo-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol (5Z,7E)-(1S,3R,20R)-24a,24b-diho…
None
| 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) | 5.04 | 6.44 | -7.2 | 3 | 4 | 0 | 70 | 446.672 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VDR-1-E | Vitamin D Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Z80566-2-O | U-937 (Histiocytic Lymphoma Cells) (cluster #2 Of 2), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z81338-3-O | T-cells (cluster #3 Of 3), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VDR_CHICK | O42392 | Vitamin D Receptor, Chick | 0.1 | 0.44 | Binding ≤ 1μM |
| VDR_CHICK | O42392 | Vitamin D Receptor, Chick | 0.1 | 0.44 | Binding ≤ 10μM |
| Z81338 | Z81338 | T-cells | 0.1 | 0.44 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 0.1 | 0.44 | Functional ≤ 10μM |
