UCSF

ZINC11616506

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 20 No

Popular Name: (Z)-1-beta-D-Arabinofuranosyl-5-(2-bromoethenyl)-2,4(1H,3H)-pyrimidinedione; 2,4(1H,3H)-Pyrimidinedione, 1-beta-D-arabinofuranosyl-5-(2-bromoethenyl)-, (Z)-; LS-135100 (Z)-1-beta-D-Arabinofuranosyl-5-…

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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) -0.90 -9.47 -15.23 4 8 0 125 349.137 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KITH-1-V Thymidine Kinase (cluster #1 Of 1), Viral Viruses 3300 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KITH_HHV1S P06479 Thymidine Kinase, Hhv1s 4300 0.38 Binding ≤ 10μM
KITH_VZVD P09250 Thymidine Kinase, Vzvd 3300 0.38 Binding ≤ 10μM

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