UCSF

ZINC38409969

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 16 Yes

Popular Name: 5-(trifluoromethyl)benzofuran-2-carboxylic 5-(trifluoromethyl)benzofuran-2-…

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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) 2.94 6.81 -43.95 0 3 -1 53 229.133 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5300 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 5300 0.46 Binding ≤ 10μM

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