UCSF

ZINC13319968

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) 5.06 7.92 -2.02 1 1 0 20 222.372 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0000719A2; EP0003515A1; EP0010142A1; EP0012246A1; EP0014929A1; EP0022955A1; EP0033604A1; EP0034323A2; EP0049546A1; EP0074694A2; EP0079906A1; EP0104602A2; EP0107857A1; EP0115278A2; EP0116277A2; EP0137419A2; EP0167709A2; EP0174816A2; EP0177807A2; EP019160 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-4-O Plasmodium Falciparum (cluster #4 Of 22), Other Other 120 0.61 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 120 0.61 Functional ≤ 10μM

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