| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2009 | 31 | No |
Popular Name: (23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone (23S)-1alpha-hydroxy-25,27-dideh…
(5Z,7E)-(1S,3R,23S)-1,3-dihydroxy-9,10-seco-5,7,10(19),25(27)-cholestatetraeno-26,23-lactone
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) | 3.77 | 9.21 | -11.94 | 2 | 4 | 0 | 67 | 426.597 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VDR-1-E | Vitamin D Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.37 | Functional ≤ 10μM |
| Z80156-5-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #5 Of 12), Other | Other | 6 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 6.3 | 0.37 | Functional ≤ 10μM |
| VDR_HUMAN | P11473 | Vitamin D Receptor, Human | 6.3 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
