UCSF

ZINC08579393

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 17 Yes

CAS Number: 523-64-8

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) 2.59 5.48 -10.84 1 3 0 42 227.263 0

Vendor Notes

Note Type Comments Provided By
biological_source Alkaloid from Flindersia australis, Haplophyllum perforatum and several other spp. (Flindersiaceae, Rutaceae) ZereneX Building Blocks
biological_use Antifungal ZereneX Building Blocks IBScreen Bioactives
mechanism Leukotriene antagonist IBScreen Bioactives

Activity (Go SEA)

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

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