UCSF

ZINC02575911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

Popular Name: 3-(3-Bromophenyl)-3-oxo-propionic acid ethylester 3-(3-Bromophenyl)-3-oxo-propioni…

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CAS Number: 21575-91-7

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) 2.45 2.22 -14.74 0 3 0 43 271.11 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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Rings

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

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