UCSF

ZINC04216113

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 Yes

Popular Name: 1-(2-Deoxy-2-fluoro-b-D-arabinofuranosyl)-5-iodouracil 1-(2-Deoxy-2-fluoro-b-D-arabinof…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 69123-98-4 , [69123-98-4]

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) -0.79 -8.38 -11.74 3 7 0 104 372.09 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KITH-1-E Thymidine Kinase (cluster #1 Of 2), Eukaryotic Eukaryotes 950 0.47 Binding ≤ 10μM
Z50599-1-O Cowpox Virus (cluster #1 Of 1), Other Other 240 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KITH_HUMAN P04183 Thymidine Kinase, Cytosolic, Human 140 0.53 Binding ≤ 1μM
KITH_HUMAN P04183 Thymidine Kinase, Cytosolic, Human 140 0.53 Binding ≤ 10μM
Z50599 Z50599 Cowpox Virus 240 0.51 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pyrimidine salvage reactions

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