| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 30 | Yes |
(5Z,7E)-(1S,3R,14R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1alpha,25-dihydroxy-14-epivitamin D3 / 1alpha,25-dihydroxy-14-epicholecalciferol
| 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) | 5.56 | 7.04 | -5.78 | 3 | 3 | 0 | 61 | 416.646 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80437-1-O | RWLeu4 (cluster #1 Of 1), Other | Other | 6 | 0.38 | Functional ≤ 10μM |
| Z80566-2-O | U-937 (Histiocytic Lymphoma Cells) (cluster #2 Of 2), Other | Other | 17 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80437 | Z80437 | RWLeu4 | 6 | 0.38 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 17 | 0.36 | Functional ≤ 10μM |
