UCSF

ZINC48948487

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 21 Yes

Popular Name: 2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[methyl-[[(2R)-tetrahydropyran…

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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) 2.22 7.91 -59.85 0 6 -1 70 288.327 4 ↓
Mid Mid (pH 6-8) 2.22 8.38 -44.55 1 6 0 71 289.335 4 ↓
Lo Low (pH 4.5-6) 2.22 8.5 -37.9 1 6 0 71 289.335 4 ↓

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

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