UCSF

ZINC05664617

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 -2.82 -13.87 3 5 0 86 350.455 3

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
M.P 225-226 C Indofine Natural Products
M.P 229-232 °C Indofine Natural Products
mechanism Activator of alpha-1A-adrenoceptor IBScreen Bioactives IBScreen Bioactives
biological_use Cardioprotective IBScreen Bioactives
biological_source Constit. of Andrographis paniculata ZereneX Building Blocks
biological_use Hepatoprotective IBScreen Bioactives IBScreen Bioactives
SOLUBILITY Paniculata leaves Indofine Natural Products
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
APPEARANCE Terepenoid Lactone from Andrographis Indofine Natural Products

Activity (Go SEA)

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

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