| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2008 | 29 | Yes |
(5E)-1alpha-hydroxyvitamin D3 / (5E)-1alpha-hydroxycholecalciferol
(5E,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
(5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
| 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) | 6.76 | 10.33 | -3.9 | 2 | 2 | 0 | 40 | 400.647 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0019000A1; EP0028484A1; EP0077353A1; EP0107941A1; EP0116755A1; EP0129003A2; EP0129003B2; EP0171990A1; EP0177920A2; EP0211863A1; EP0211863B1; EP0335140A1; EP0335140B1; EP0377743B1; EP0383116A2; EP0383116B1; EP0390930A1; EP0390930B1; EP0402982A1; EP040298 | IBM Patent Data |
| Target | Others | Selleck Chemicals |
| Target | Vitamin | Selleck Chemicals |
