| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2011 | 30 | Yes |
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) | 5.42 | 7.01 | -5.85 | 3 | 3 | 0 | 61 | 414.63 | 6 | ↓ |
| 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 |
| Z80156-5-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #5 Of 12), Other | Other | 2 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VDR_RAT | P13053 | Vitamin D Receptor, Rat | 0.1 | 0.47 | Binding ≤ 1μM |
| VDR_RAT | P13053 | Vitamin D Receptor, Rat | 0.1 | 0.47 | Binding ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 2 | 0.41 | Functional ≤ 10μM |
