UCSF

ZINC55091070

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 Yes

Popular Name: (2R)-2-[(6-chloro-2-methyl-imidazo[1,2-a]pyridin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]butan-1-o (2R)-2-[(6-chloro-2-methyl-imida…

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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) 3.99 9.78 -41.34 2 4 1 42 376.883 7 ↓
Mid Mid (pH 6-8) 3.99 7.17 -10.6 1 4 0 41 375.875 7 ↓
Lo Low (pH 4.5-6) 3.99 10.22 -96.89 3 4 2 43 377.891 7 ↓

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

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