UCSF

ZINC29126254

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 19 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) 0.65 1.73 -114.02 6 4 2 57 329.286 1
Hi High (pH 8-9.5) 0.65 -0.63 -43.13 5 4 1 53 328.278 1
Hi High (pH 8-9.5) 0.65 0.65 -41.05 5 4 1 53 328.278 1

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 5800 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 5800 0.39 Functional ≤ 10μM

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