UCSF

ZINC00056552

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3984-34-7 , [3984-34-7]

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) 1.93 6.98 -43.09 0 3 -1 57 211.624 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 128-130? Alfa-Aesar
Melting_Point 128-130° Alfa-Aesar
MP 130 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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