UCSF

ZINC00005744

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: 5-[(E)-2-bromovinyl]-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-q 5-[(E)-2-bromovinyl]-1-[(2S,3R,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 -6.3 -16.34 4 8 0 125 349.137 3 ↓
Hi High (pH 8-9.5) -0.44 -8.1 -53.94 3 8 -1 128 348.129 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50527-1-O Human Herpesvirus 3 (cluster #1 Of 3), Other Other 1 0.63 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50527 Z50527 Human Herpesvirus 3 1 0.63 Functional ≤ 10μM

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