UCSF

ZINC05818449

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 17 Yes

Popular Name: 4-(6-methyl-1H-1,3-benzodiazol-2-yl)phenol 4-(6-methyl-1H-1,3-benzodiazol-2…

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CAS Number: 113561-64-1

Other Names:

MFCD12408725

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) 3.49 4.87 -9.78 2 3 0 49 224.263 1 ↓

Vendor Notes

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

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