UCSF

ZINC27315499

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 45 No

Popular Name: 2-[4-[[3,5-bis[(4-oxalophenoxy)methyl]phenyl]methoxy]phenyl]-2-oxo-acetic 2-[4-[[3,5-bis[(4-oxalophenoxy)m…

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Download: MOL2 SDF SMILES Flexibase

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) 3.13 14.37 -155.57 0 12 -3 199 609.519 15 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTPRC-1-E Leukocyte Common Antigen (cluster #1 Of 3), Eukaryotic Eukaryotes 1700 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTPRC_HUMAN P08575 Leukocyte Common Antigen, Human 1700 0.18 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Other semaphorin interactions
Phosphorylation of CD3 and TCR zeta chains

Rings

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

No pre-computed analogs available. Try a structural similarity search.