UCSF

ZINC40379251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 26 Yes

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) 2.11 8.74 -13.29 1 8 0 87 367.438 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-5-E Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 6.3 0.44 Binding ≤ 1μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 10.3 0.43 Binding ≤ 1μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 6.3 0.44 Binding ≤ 10μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 10.3 0.43 Binding ≤ 10μM

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