UCSF

ZINC40763260

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 21 Yes

Popular Name: 5-(dimethoxymethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dio 5-(dimethoxymethyl)-1-[(2S,4S,5R…

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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) -1.97 -5.09 -16.1 3 9 0 123 302.283 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50599-1-O Cowpox Virus (cluster #1 Of 1), Other Other 7400 0.34 Functional ≤ 10μM
Z50600-1-O Vaccinia Virus (cluster #1 Of 2), Other Other 9000 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50599 Z50599 Cowpox Virus 7400 0.34 Functional ≤ 10μM
Z50600 Z50600 Vaccinia Virus 8400 0.34 Functional ≤ 10μM

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