| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 30 | Yes |
(5Z,7E)-(1S,3S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1,25-dihydroxyvitamin D3; 32222-06-3; calcitriol
1alpha,25-dihydroxy-3-epivitamin D3 / 1alpha,25-dihydroxy-3-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 | -8.81 | 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 |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80437 | Z80437 | RWLeu4 | 6 | 0.38 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.