UCSF

ZINC03888450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 No

Popular Name: 4-(2,4-Dichloro-phenyl)-2,4-dioxo-butyric acid methyl ester 4-(2,4-Dichloro-phenyl)-2,4-diox…

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CAS Number: 175711-73-6

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) 2.79 7.12 -43.22 0 4 -1 66 274.079 4 ↓
Ref Reference (pH 7) 3.24 7.38 -40.88 0 4 -1 66 274.079 4 ↓
Mid Mid (pH 6-8) 2.05 8.38 -13.39 0 4 0 60 275.087 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 118 - 120 Enamine Building Blocks
MP 118...120 Enamine Building Blocks
MP 119 - 120 Enamine Building Blocks
MP 120 - 120 Enamine Building Blocks
MP 120 - 122 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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

No pre-computed analogs available. Try a structural similarity search.