UCSF

ZINC05783757

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 17 Yes

Popular Name: 5-CHLORO-2'-DEOXYURIDINE 5-CHLORO-2'-DEOXYURIDINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50-90-8 , [50-90-8]

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) -1.20 -7.72 -14.85 3 7 0 104 262.649 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KTHY-1-B Thymidylate Kinase (cluster #1 Of 1), Bacterial Bacteria 10000 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KTHY_MYCTU O05891 Thymidylate Kinase, Myctu 10000 0.41 Binding ≤ 10μM

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