| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2010 | 30 | Yes |
Popular Name: Calcipotriol Calcipotriol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112828-00-9 , [112828-00-9]
(5Z,7E,22E)-(1S,3R,20S,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol
| 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) | 4.59 | 7.56 | -5 | 3 | 3 | 0 | 61 | 412.614 | 5 | ↓ |
