UCSF

ZINC61415680

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 Yes

Popular Name: 5-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)quinoline 5-(6-bromo-3H-imidazo[4,5-b]pyri…

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CAS Number: 1354951-32-8

Other Names:

MFCD20501989

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) 3.86 7.69 -12.65 1 4 0 54 325.169 1 ↓
Hi High (pH 8-9.5) 3.86 6.63 -40.94 0 4 -1 53 324.161 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.