UCSF

ZINC04096712

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 30 No

Popular Name: Stigmasterol Stigmasterol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 83-48-7 , 85681-87-4 , [83-48-7] , [85681-87-4]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 7.87 13.71 -1.46 1 1 0 20 412.702 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 161 - 170 Acros Organics
M.P 165-167o C. Indofine
Patent Database Links EP1394144; EP1502578; EP1504747; EP1504748; EP1570833; EP1597973; EP1598060; EP1627623; EP1693376; EP1702515; EP1719768; EP1728507; EP1749520; EP1806350; EP1815841; EP1834628; EP1857112; EP1891924; US2002098152; US2005250953; US2007183993; US2007185038; U ChEBI
UniProt Database Links LCAT2_ARATH; NPCL1_MOUSE; U80A2_ARATH; U80B1_ARATH ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
M.P ~168 C Indofine

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )