UCSF

ZINC05051093

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 18 No

Popular Name: 4-(4-chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid 4-(4-chloro-3-nitrophenyl)-3-met…

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CAS Number: 85633-96-1

Other Names:

MFCD02211210

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) 2.29 7.96 -44.23 0 6 -1 103 270.648 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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