UCSF

ZINC01546587

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 38 No

Popular Name: (2S)-2-[[[(2R,5S)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosp (2S)-2-[[[(2R,5S)-5-(2,4-diketo-…

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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) 2.63 11.42 -24.96 2 11 0 138 541.497 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 60 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80874 Z80874 CEM (T-cell Leukemia) 22 0.28 Functional ≤ 10μM

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