UCSF

ZINC04098612

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 45 No

Popular Name: CORILAGIN CORILAGIN

Find On: PubMed — Wikipedia — Google

CAS Number: 23094-69-1

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) 0.31 -16.38 -26.27 11 18 0 310 634.455 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0142974A1; EP0264655A2; EP0268042A2; EP0320227A2; EP0320227B1; EP0331158A2; EP0345571A1; EP0345571B1; EP0372996A2; EP0372996B1; EP0390107A2; EP0390107B1; EP0415126B1; EP0527096A2; EP0527096A3; EP0626139A1; EP0741812B1; EP0991318A1; US4101339; US4110226 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG1-1-E Squalene Monooxygenase (cluster #1 Of 3), Eukaryotic Eukaryotes 4000 0.17 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ERG1_RAT P52020 Squalene Monooxygenase, Rat 4000 0.17 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis

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

No pre-computed analogs available. Try a structural similarity search.