UCSF

ZINC13611935

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 29 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) 6.89 13.08 -9.27 0 4 0 56 390.527 13
Lo Low (pH 4.5-6) 6.89 13.35 -40.86 1 4 1 57 391.535 13

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 22 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 22 0.37 Binding ≤ 1μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 22 0.37 Binding ≤ 10μM

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