UCSF

ZINC36877334

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 Yes

Popular Name: methyl[(4-phenyl-1H-imidazol-2-yl)methyl]amine methyl[(4-phenyl-1H-imidazol-2-y…

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CAS Number: 1048983-27-2

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) 1.26 4.71 -43.48 3 3 1 45 188.254 3 ↓
Hi High (pH 8-9.5) 1.26 3.25 -5.72 2 3 0 41 187.246 3 ↓
Hi High (pH 8-9.5) 1.26 3.28 -7.69 2 3 0 41 187.246 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 117 - 119 Enamine Building Blocks
MP 117...119 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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