UCSF

ZINC00163657

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone 1-(2,4-Dihydroxyphenyl)-2-(4-met…

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CAS Numbers: 487-49-0 , CAS# 487-49-0 , [487-49-0]

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) 2.76 3.76 -12.95 2 4 0 67 258.273 4 ↓
Hi High (pH 8-9.5) 2.76 4.77 -54.99 1 4 -1 70 257.265 4 ↓
Hi High (pH 8-9.5) 2.76 4.54 -46.02 1 4 -1 70 257.265 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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