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) 1.98 6.17 -15.92 2 5 0 70 203.249 2

Vendor Notes

Note Type Comments Provided By
biological_source Alkaloid from leaves of Holarrhena floribunda, Holarrhena mitis, Holarrhena congolensis and another Holarrhena sp. (poss. Holarrhena wulfsbergii ), also from Gleditsia triac ZereneX Building Blocks
ALOGPS_SOLUBILITY 4.24e-01 g/l DrugBank-experimental
biological_use Antiasthmatic IBScreen Bioactives IBScreen Bioactives
mechanism Cytokinin IBScreen Bioactives
mechanism Effects xanthine oxidase IBScreen Bioactives
biological_use Spasmolytic IBScreen Bioactives IBScreen Bioactives

Activity (Go SEA)

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

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