UCSF

ZINC05116121

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 15 Yes

Popular Name: 5-methyl-2-phenyl-1H-imidazole-4-carboxylic acid 5-methyl-2-phenyl-1H-imidazole-4…

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CAS Numbers: 1171784-38-5 , 28824-94-4

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) 2.08 5.03 -62.13 1 4 -1 69 201.205 2 ↓
Mid Mid (pH 6-8) 2.08 5.44 -35.93 2 4 0 70 202.213 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 223 - 225 Enamine Building Blocks
MP 223...225 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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