UCSF

ZINC67973752

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: (2S)-4-(6-chloro-2-methyl-imidazo[1,2-a]pyridine-3-carbonyl)-1-methyl-piperazine-2-carboxylic (2S)-4-(6-chloro-2-methyl-imidaz…

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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) -0.50 8.35 -41.05 1 7 0 82 336.779 2 ↓
Hi High (pH 8-9.5) -0.50 6.13 -51.74 0 7 -1 81 335.771 2 ↓
Lo Low (pH 4.5-6) -0.50 8.79 -74.59 2 7 1 83 337.787 2 ↓

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

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