UCSF

ZINC00199415

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: Gamma-Fagarine Gamma-Fagarine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 524-15-2 , [524-15-2]

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) 2.88 2.78 -13.15 0 4 0 45 229.235 2 ↓
Mid Mid (pH 6-8) 2.88 3.84 -22.37 1 4 1 46 230.243 2 ↓

Vendor Notes

Note Type Comments Provided By
biological_source Alkaloid from Fagara coco, Aegle marmelos and Haplophyllum spp. (Rutaceae) ZereneX Building Blocks
biological_use Antiaggregant IBScreen Bioactives IBScreen Bioactives
mechanism Antifibrillator IBScreen Bioactives
biological_use Antileishmanial IBScreen Bioactives

Activity (Go SEA)

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

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