UCSF

ZINC58541055

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 35 Yes

Popular Name: 1-[4-[[2-(dimethylamino)-3H-imidazo[4,5-b]pyridin-7-yl]oxy]-2-fluoro-phenyl]-3-[2-fluoro-5-(trifluor 1-[4-[[2-(dimethylamino)-3H-imid…

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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) 4.92 10.84 -15.61 3 8 0 95 492.408 6 ↓
Hi High (pH 8-9.5) 4.92 10.46 -50.37 2 8 -1 93 491.4 6 ↓

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

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