UCSF

ZINC45389511

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 26 Yes

Popular Name: (S)-2-(4-Chlorophenyl)-3,3-dimethyl-N-(5-phenylthiazol-2-yl)butanamide (S)-2-(4-Chlorophenyl)-3,3-dimet…

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CAS Number: 1208552-99-1

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) 6.54 12.18 -13.09 1 3 0 42 384.932 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 700 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FFAR2_HUMAN O15552 Free Fatty Acid Receptor 2, Human 700 0.33 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Free fatty acid receptors
G alpha (q) signalling events

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

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