UCSF

ZINC34452863

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 No

Popular Name: 4-(chloromethyl)-5-methyl-2-phenyl-1H-imidazole 4-(chloromethyl)-5-methyl-2-phen…

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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) 3.08 6.71 -8.16 1 2 0 29 206.676 2 ↓
Mid Mid (pH 6-8) 3.08 7.12 -27.8 2 2 1 30 207.684 2 ↓
Mid Mid (pH 6-8) 3.08 6.7 -7.81 1 2 0 29 206.676 2 ↓
Lo Low (pH 4.5-6) 3.08 7.13 -27.8 2 2 1 30 207.684 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0289227A1; EP0289227B1; US4829065; US4935417; US5010075; US5043447; US5091428; US5252736; US5276034; US5514800; WO2000061586A1 IBM Patent Data

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