UCSF

ZINC52879239

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 Yes

Popular Name: (1R)-1-(3H-imidazo[4,5-b]pyridin-2-yl)-1-phenyl-ethanamine (1R)-1-(3H-imidazo[4,5-b]pyridin…

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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) 2.04 4.45 -12.84 3 4 0 68 238.294 2 ↓
Mid Mid (pH 6-8) 2.04 4.72 -49.98 4 4 1 69 239.302 2 ↓

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

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