UCSF

ZINC71790933

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2012 17 Yes

Popular Name: 3-{2-methylimidazo[1,2-a]pyridin-3-yl}piperazin-2-one 3-{2-methylimidazo[1,2-a]pyridin…

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CAS Numbers: 1354949-78-2 , 1803566-49-5

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) 0.47 3.12 -28.62 3 5 1 60 231.279 1 ↓
Mid Mid (pH 6-8) 0.47 2.67 -16.21 2 5 0 58 230.271 1 ↓
Lo Low (pH 4.5-6) 0.47 3.54 -98.22 4 5 2 64 232.287 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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