UCSF

ZINC28115899

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) 6.55 11.41 -15.36 0 8 0 62 622.762 4
Lo Low (pH 4.5-6) 6.55 14.17 -58.35 1 8 1 63 623.77 4

Vendor Notes

Note Type Comments Provided By
M.P 219-222 °C Indofine Natural Products
M.P 221-222C Indofine Natural Products
SOLUBILITY Soluble in ether and some other Organic solvents Indofine Natural Products

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 498 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 305 0.20 Functional ≤ 10μM

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