UCSF

ZINC36323858

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 14 Yes

Popular Name: 1-(4-phenyl-1H-imidazol-2-yl)ethan-1-amine 1-(4-phenyl-1H-imidazol-2-yl)eth…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1153547-94-4 , 1245649-51-7 , 335246-81-6 , 864825-23-0 , [335246-81-6]

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) -0.43 3.33 -45.74 4 3 1 56 188.254 2 ↓
Hi High (pH 8-9.5) -0.43 2.98 -7.25 3 3 0 55 187.246 2 ↓
Hi High (pH 8-9.5) -0.43 3.01 -9.46 3 3 0 55 187.246 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 129 - 131 Enamine Building Blocks
MP 129...131 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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