UCSF

ZINC04475260

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 29 No

CAS Numbers: 544478-19-5 , [544478-19-5]

Other Names:

MFCD06798381

MRS1845

Download: MOL2 SDF SMILES Flexibase

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) 4.35 12.98 -16.37 0 8 0 102 398.415 8

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 7943 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3981.07171 0.26 Functional ≤ 10μM

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