UCSF

ZINC01763283

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 16 No

Popular Name: 4-allyloxy-naphthalene-1,2-dione 4-allyloxy-naphthalene-1,2-dione

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CAS Number: 42164-68-1

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) 2.30 2.38 -10.42 0 3 0 43 214.22 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTPRC-3-E Leukocyte Common Antigen (cluster #3 Of 3), Eukaryotic Eukaryotes 1200 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTPRC_HUMAN P08575 Leukocyte Common Antigen, Human 1200 0.52 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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