UCSF

ZINC03591649

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 26 No

Popular Name: 3-[(2S,4S,5S)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-octyl-furo[2,3-d]pyrimidin-2-one 3-[(2S,4S,5S)-4-hydroxy-5-methyl…

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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) 3.05 0.99 -15.5 2 7 0 98 364.442 9 ↓

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 8 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50527 Z50527 Human Herpesvirus 3 24 0.41 Functional ≤ 10μM

Rings

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