UCSF

ZINC58538419

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 36 Yes

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

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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) 4.41 9.93 -47.78 4 8 1 96 507.443 7 ↓
Hi High (pH 8-9.5) 4.41 7.28 -14.91 3 8 0 95 506.435 7 ↓
Mid Mid (pH 6-8) 4.41 9.37 -40.12 3 8 0 95 506.435 7 ↓

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

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