UCSF

ZINC04529217

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 26 Yes

Popular Name: 3,3,3-Tris(4-chlorophenyl)propionic acid 3,3,3-Tris(4-chlorophenyl)propio…

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CAS Numbers: 2168-06-1 , 2168/6/1 , [2168-06-1]

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) 6.72 12.93 -42.14 0 2 -1 40 404.7 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MIF-2-E Macrophage Migration Inhibitory Factor (cluster #2 Of 3), Eukaryotic Eukaryotes 8100 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MIF_HUMAN P14174 Macrophage Migration Inhibitory Factor, Human 8100 0.27 Binding ≤ 10μM

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