UCSF

ZINC00363577

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 19 Yes

Popular Name: 4-(2,4,5-trimethoxyphenyl)-4-oxobutyric acid 4-(2,4,5-trimethoxyphenyl)-4-oxo…

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CAS Number: 31914-19-9

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) 0.88 6.25 -50.28 0 6 -1 85 267.257 7 ↓
Lo Low (pH 4.5-6) 0.88 4.27 -12.17 1 6 0 82 268.265 7 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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