UCSF

ZINC00159652

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 4-(4-(Dimethylamino)phenyl)but-3-en-2-one 4-(4-(Dimethylamino)phenyl)but-3…

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CAS Numbers: 5432-53-1 , [5432-53-1]

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) 2.31 2.06 -7.02 0 2 0 20 189.258 3 ↓

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