UCSF

ZINC69486602

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 19 Yes

Popular Name: 6-bromo-2-[(1-ethylimidazol-2-yl)methylsulfanyl]-3H-imidazo[4,5-b]pyridine 6-bromo-2-[(1-ethylimidazol-2-yl…

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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) 2.54 7.39 -9.12 1 5 0 59 338.234 4 ↓
Mid Mid (pH 6-8) 2.54 6.86 -41.69 0 5 -1 58 337.226 4 ↓
Lo Low (pH 4.5-6) 2.54 7.33 -41.46 1 5 0 59 338.234 4 ↓
Lo Low (pH 4.5-6) 2.54 7.86 -34.49 2 5 1 61 339.242 4 ↓

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Rings

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

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