UCSF

ZINC03882591

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 19 No

Popular Name: methyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate methyl 4-(3,4-dimethoxyphenyl)-2…

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CAS Number: 70311-75-0

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) 1.60 6.62 -44.48 0 6 -1 85 265.241 6 ↓
Mid Mid (pH 6-8) 0.41 3.88 -16.4 0 6 0 78 266.249 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 141 - 150 Enamine Building Blocks
MP 153 - 155 Enamine Building Blocks
MP 153...155 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )