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) 3.55 7.89 -10.72 0 4 0 53 258.273 2

Vendor Notes

Note Type Comments Provided By
biological_use Antileukemic IBScreen Bioactives IBScreen Bioactives
mechanism Apoptosis inducer in human promyelocytic leukaemia, HL-60 cells IBScreen Bioactives
PUBCHEM_PATENT_ID EP0872903A1; EP0934955A1; EP1043338A1; EP1063242A1; US4757124; US4758639; US6037426; US6096144; WO1995005741A1 IBM Patent Data
biological_source From roots of Peucedanum officinale and other Peucedanum spp. and from Prangos pabularia ZereneX Building Blocks
Therapy phototoxic SMDC MicroSource
biological_use Redioprotective IBScreen Bioactives

Activity (Go SEA)

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

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