UCSF

ZINC48968490

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 Yes

Popular Name: (E)-3-cyclopropyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-2-enamide (E)-3-cyclopropyl-N-[(7-methylim…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.76 8.66 -30.36 2 4 1 48 270.356 4 ↓
Mid Mid (pH 6-8) 2.76 8.22 -11.56 1 4 0 46 269.348 4 ↓

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

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