UCSF

ZINC27416848

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 21 Yes

Popular Name: 4-amino-7-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyri 4-amino-7-[(2R,3S,4R,5R)-3-fluor…

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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) -1.27 -1.17 -14.73 4 8 0 130 293.258 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102080-1-O Simplexvirus (cluster #1 Of 1), Other Other 470 0.42 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 25 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50530 Z50530 Human Herpesvirus 5 25 0.51 Functional ≤ 10μM
Z102080 Z102080 Simplexvirus 470 0.42 Functional ≤ 10μM

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