UCSF

ZINC00753167

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 22 Yes

Popular Name: (2S)-2-(4-isobutylphenyl)-N-(3-methyl-2-pyridyl)propionamide (2S)-2-(4-isobutylphenyl)-N-(3-m…

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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) 4.52 1.99 -12.82 1 3 0 41 296.414 5 ↓
Lo Low (pH 4.5-6) 4.52 1.62 -28.39 2 3 1 43 297.422 5 ↓

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 1300 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 1300 0.37 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.