UCSF

ZINC03870056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 31 Yes

CAS Number: 79-63-0

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 8.48 13.9 -1.62 1 1 0 20 426.729 4

Vendor Notes

Note Type Comments Provided By
MP 137 TCI
UniProt Database Links CP511_ARATH; CP51A_BOVIN; CP51A_HUMAN; CP51A_MACFA; CP51A_MOUSE; CP51A_PIG; CP51A_PONAB; CP51A_RAT; CP51_ASHGO; CP51_CANAL; CP51_CANGA; CP51_CANTR; CP51_CUNEL; CP51_DICDI; CP51_ISSOR; CP51_MIMIV; CP51_MYCBO; CP51_MYCTU; CP51_MYCVP; CP51_PENIT; CP51_SCHPO ChEBI
Patent Database Links EP0814080; EP1525882; EP1616562; EP1702626; EP1806350; EP1891924; US2002098152; US2003195367; US2005009870; US2005014786; US2005065210; US2005080087; US2005085497; US2007190180; US2007190181; US2007190182; US2007207103; US2007249583; US2007254859; WO20050 ChEBI
Reactome Database Links REACT_10006; REACT_9391 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Cholesterol biosynthesis
Endogenous sterols

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