UCSF

ZINC43491057

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 29 No

Popular Name: 6-dec-1-ynyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]furo[2,3-d]pyrimid 6-dec-1-ynyl-3-[(2R,3R,4S,5R)-3,…

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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) 3.61 0.9 -23.29 3 8 0 118 404.463 8 ↓

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 6200 0.25 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 7300 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50527 Z50527 Human Herpesvirus 3 6200 0.25 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 7300 0.25 Functional ≤ 10μM

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