UCSF

ZINC49771727

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 49 No

Popular Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy- [[(2R,3S,4R,5R)-5-(4-amino-2-oxo…

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Annotations

Vendors

    None

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) 5.14 9.76 -161.29 4 16 -2 237 741.753 29 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 2300 0.16 Functional ≤ 10μM
Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 1200 0.17 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80678 Z80678 AMML Cell Line 2300 0.16 Functional ≤ 10μM
Z80777 Z80777 CML/BC Cell Line 1200 0.17 Functional ≤ 10μM

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