UCSF

ZINC28763025

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 20 No

Popular Name: 5-[(Z)-2-bromovinyl]-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine 5-[(Z)-2-bromovinyl]-1-[(2S,3S,4…

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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 -5.46 -15.85 4 8 0 125 349.137 3 ↓
Hi High (pH 8-9.5) -0.44 -7.26 -55.08 3 8 -1 128 348.129 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% )