UCSF

ZINC05618792

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 35 Yes

Other Names:

MFCD11113892

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) 3.33 -4.24 -15.8 2 7 0 93 470.525 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8II92-1-E DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.23 Binding ≤ 10μM
Q8II92-1-E DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.23 Binding ≤ 10μM
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 6000 0.21 Functional ≤ 10μM
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 6000 0.21 Functional ≤ 10μM
Z50426-1-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other Other 6000 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8II92_PLAF7 Q8II92 DUTP Pyrophosphatase, Plaf7 1800 0.23 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 6000 0.21 Functional ≤ 10μM
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 6000 0.21 Functional ≤ 10μM

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