UCSF

ZINC66352146

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 19 Yes

Popular Name: (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine (R)-3-(1-(2,6-dichloro-3-fluorop…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 756520-67-9 , 877397-71-2 , 877399-71-2 , [877397-71-2]

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) 3.86 6.93 -30.63 3 3 1 49 302.156 3 ↓
Mid Mid (pH 6-8) 3.86 6.47 -5.72 2 3 0 48 301.148 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7230 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 7120 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Sema4D mediated inhibition of cell attachment and migration

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

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