UCSF

ZINC00133169

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 16 Yes

Popular Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid 4-(4-ethoxyphenyl)-4-oxobutanoic…

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CAS Numbers: 53623-37-3 , [53623-37-3]

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) 1.68 6.7 -45.59 0 4 -1 66 221.232 6 ↓
Lo Low (pH 4.5-6) 1.68 4.72 -8.14 1 4 0 64 222.24 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 131 - 133 Enamine Building Blocks
MP 137 - 139 Enamine Building Blocks
MP 137...139 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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