UCSF

ZINC14278181

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 28 No

Popular Name: N-(2,6-diisopropylphenyl)-3-oxo-tridecanamide N-(2,6-diisopropylphenyl)-3-oxo-…

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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) 6.58 16.23 -13.64 1 3 0 46 387.608 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EST1-1-E Acyl Coenzyme A:cholesterol Acyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EST1_RABIT P12337 Acyl Coenzyme A:cholesterol Acyltransferase, Rabit 60 0.36 Functional ≤ 10μM

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