| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2005 | 30 | Yes |
Popular Name: Calcipotriene Calcipotriene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112828-00-9 , 112965-21-6 , 147657-22-5
(1S,5Z,7Z,17ALPHA,22E)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10,22-TETRAENE-1,3,24-TRIOL
(5Z,7E,22E)-(1S,3R,24R)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-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 | -4.2 | -5.46 | 3 | 3 | 0 | 60 | 412.614 | 5 | ↓ |
