UCSF

ZINC32254083

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 16 Yes

Popular Name: 4-(4-(Trifluoromethyl)phenyl)pyridine 4-(4-(Trifluoromethyl)phenyl)pyr…

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CAS Numbers: 220000-88-4 , [220000-88-4]

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) 3.34 7.16 -5.6 0 1 0 13 223.197 2 ↓
Lo Low (pH 4.5-6) 3.34 7.59 -40.32 1 1 1 14 224.205 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KIF11-2-E Kinesin-like Protein 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 10000 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Kinesins
MHC class II antigen presentation

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