UCSF

ZINC43409494

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 28 No

Popular Name: 6-decyl-3-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one 6-decyl-3-[(2R,4R,5S)-4-hydroxy-…

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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) 4.06 3.22 -33.15 2 7 0 98 392.496 11 ↓

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 0.40 Functional ≤ 10μM
Z80942-1-O HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other Other 8 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80942 Z80942 HEL (Embryonic Lung Cells) 15 0.39 Functional ≤ 10μM
Z50527 Z50527 Human Herpesvirus 3 15 0.39 Functional ≤ 10μM

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