UCSF

ZINC36184764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 35 Yes

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) 3.13 7.49 -50.82 4 7 1 101 470.549 7
Mid Mid (pH 6-8) 3.13 6.68 -15.53 3 7 0 96 469.541 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 200 0.27 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 4500 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8II92_PLAF7 Q8II92 DUTP Pyrophosphatase, Plaf7 200 0.27 Binding ≤ 1μM
Q8II92_PLAF7 Q8II92 DUTP Pyrophosphatase, Plaf7 200 0.27 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 4500 0.21 Functional ≤ 10μM

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