UCSF

ZINC00135163

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Other Names:

MFCD00158516

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) 5.02 6.19 -7.57 1 3 0 38 219.284 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0710887A1; EP0710887B1; EP0724197A1; EP0724197B1; EP0726497A3; EP0726498B1; EP0822447B1; EP0860741A1; EP0922570A2; EP0924570A1; EP0938972A1; EP0945264A1; EP0949540A1; EP0980754A1; EP0985683A1; EP1031414A1; EP1035435A2; EP1038668A2; EP1038668A3; EP104845 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-1-E Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic Eukaryotes 3776 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 3776 0.47 Binding ≤ 10μM

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