UCSF

ZINC43706308

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 No

Popular Name: N-(2-chloroethyl)hexadecanamide N-(2-chloroethyl)hexadecanamide

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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) 7.53 12.06 -8.24 1 2 0 29 317.945 16 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-6-E Anandamide Amidohydrolase (cluster #6 Of 7), Eukaryotic Eukaryotes 2630 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 2630.26799 0.37 Binding ≤ 10μM

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