UCSF

ZINC13282304

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 19 No

Popular Name: 1-Methyl-2-nitro-6-phenylimidazo[4,5-B]pyridine 1-Methyl-2-nitro-6-phenylimidazo…

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CAS Numbers: 129018-59-3 , 303173-40-2

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) 2.82 10.55 -12.7 0 6 0 77 254.249 2 ↓
Mid Mid (pH 6-8) 2.82 11 -28.59 1 6 1 78 255.257 2 ↓
Lo Low (pH 4.5-6) 2.82 11.26 -103.9 2 6 2 79 256.265 2 ↓
Lo Low (pH 4.5-6) 2.82 10.82 -39.66 1 6 1 78 255.257 2 ↓

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

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