UCSF

ZINC03949004

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 25 Yes

Other Names:

DNC004661

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) 4.87 0.21 -9.29 0 4 0 55 334.419 9

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EST1-6-E Carboxylesterase (cluster #6 Of 7), Eukaryotic Eukaryotes 600 0.35 Binding ≤ 10μM
FAAH1-5-E Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic Eukaryotes 5 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EST1_HUMAN P23141 Acyl Coenzyme A:cholesterol Acyltransferase, Human 600 0.35 Binding ≤ 1μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 112 0.39 Binding ≤ 1μM
FAAH1_MOUSE O08914 Anandamide Amidohydrolase, Mouse 4.7 0.47 Binding ≤ 1μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 10 0.45 Binding ≤ 1μM
EST1_HUMAN P23141 Acyl Coenzyme A:cholesterol Acyltransferase, Human 600 0.35 Binding ≤ 10μM
FAAH1_MOUSE O08914 Anandamide Amidohydrolase, Mouse 4.7 0.47 Binding ≤ 10μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 10 0.45 Binding ≤ 10μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 112 0.39 Binding ≤ 10μM

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