UCSF

ZINC34455871

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 Yes

Popular Name: 5-methyl-4-phenyl-2-(pyrrolidin-2-yl)-1H-imidazole 5-methyl-4-phenyl-2-(pyrrolidin-…

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CAS Number: 1153103-65-1

Other Names:

MFCD12105653

MFCD19686440

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) 2.07 6.25 -37.39 3 3 1 45 228.319 2 ↓
Hi High (pH 8-9.5) 2.07 5.22 -25.24 3 3 1 42 228.319 2 ↓
Hi High (pH 8-9.5) 2.07 4.99 -5.96 2 3 0 41 227.311 2 ↓
Hi High (pH 8-9.5) 2.07 5.01 -7.46 2 3 0 41 227.311 2 ↓
Lo Low (pH 4.5-6) 2.07 6.56 -103.59 4 3 2 47 229.327 2 ↓
Lo Low (pH 4.5-6) 2.07 6.63 -103.45 4 3 2 47 229.327 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 164 - 166 Enamine Building Blocks
MP 164...166 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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