UCSF

ZINC05998737

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 18 Yes

CAS Number: 5876-17-5

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) 2.39 0.76 -13.88 1 5 0 65 245.234 2
Hi High (pH 8-9.5) 2.39 1.69 -51.13 0 5 -1 68 244.226 2

Vendor Notes

Note Type Comments Provided By
biological_source Alkaloid from Haplophyllum robustum, Zanthoxylum cuspidatum, Monnieria trifolia and Melicope lasioneura (Rutaceae) ZereneX Building Blocks
biological_use Antiaggregant IBScreen Bioactives
biological_use Hypotensive IBScreen Bioactives
biological_use Sedative IBScreen Bioactives IBScreen Bioactives

Activity (Go SEA)

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