UCSF

ZINC13643324

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 No

CAS Number: 5508-58-7

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) 1.05 3.01 -13.64 3 5 0 87 350.455 3

Vendor Notes

Note Type Comments Provided By
mechanism Activator of alpha-1A-adrenoceptor IBScreen Bioactives IBScreen Bioactives
biological_use Cardioprotective IBScreen Bioactives
biological_use Hepatoprotective IBScreen Bioactives IBScreen Bioactives
mechanism Prevents oxygen radical production by human neutrophils IBScreen Bioactives
biological_use Shown to be effective against certain cancers and is an effective purgative IBScreen Bioactives
mechanism Suppressor of the expression of inducible nitric oxide synthase IBScreen Bioactives

Activity (Go SEA)

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

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