UCSF

ZINC32628206

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 16 Yes

Popular Name: 1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethan-1-amine 1-[5-(3-methoxyphenyl)-1H-imidaz…

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CAS Numbers: 1156299-51-2 , 1173036-46-8

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) -0.40 2.87 -53.6 4 4 1 66 218.28 3 ↓
Ref Reference (pH 7) -0.40 2.91 -55.09 4 4 1 66 218.28 3 ↓
Hi High (pH 8-9.5) -0.40 2.59 -10.49 3 4 0 64 217.272 3 ↓
Hi High (pH 8-9.5) -0.40 2.55 -7.36 3 4 0 64 217.272 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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