UCSF

ZINC01385263

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 Yes

Popular Name: ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate ethyl 6-chloro-2-phenylimidazo[1…

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CAS Number: 193979-37-2

Other Names:

MFCD00139524

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) 4.05 10.34 -9.37 0 4 0 44 300.745 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 124 - 125 KeyOrganics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-1-O GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other Other 2120 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 2120 0.38 Binding ≤ 10μM

Rings

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