UCSF

ZINC56851058

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 40 No

Popular Name: (2R,4S,5S,6R)-6-[(1S,2S)-3-[(4-chlorobenzoyl)amino]-1,2-dihydroxy-propyl]-2-[(2,3-difluorophenyl)met (2R,4S,5S,6R)-6-[(1S,2S)-3-[(4-c…

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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) 0.69 3.15 -52.84 5 11 -1 177 589.927 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MAG-1-E Myelin-associated Glycoprotein (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MAG_MOUSE P20917 Myelin-associated Glycoprotein, Mouse 500 0.22 Binding ≤ 1μM
MAG_MOUSE P20917 Myelin-associated Glycoprotein, Mouse 500 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Axonal growth inhibition (RHOA activation)
Basigin interactions

Rings

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

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