UCSF

ZINC40712452

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 19 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) -0.48 -1.75 -22.33 3 7 0 105 270.285 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 5), Other Other 7400 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50602 Z50602 Human Herpesvirus 1 7400 0.38 Functional ≤ 10μM

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