UCSF

ZINC66259512

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 24 No

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) 1.74 3.61 -25.1 5 7 0 117 348.428 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-17-O Plasmodium Falciparum (cluster #17 Of 22), Other Other 94 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 15.8 0.46 Functional ≤ 10μM

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