UCSF

ZINC03842546

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2005 16 Yes

Popular Name: 5-bromo-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-pyrimidine-2,4-dione 5-bromo-1-[2-(hydroxymethyl)-1,3…

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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) -0.73 -6.42 -10.11 2 7 0 93 293.073 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6022876; WO1998020879A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50518-3-O Human Herpesvirus 4 (cluster #3 Of 5), Other Other 190 0.59 Functional ≤ 10μM
Z50518-3-O Human Herpesvirus 4 (cluster #3 Of 5), Other Other 190 0.59 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50518 Z50518 Human Herpesvirus 4 190 0.59 Functional ≤ 10μM

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