UCSF

ZINC12403835

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 21 No

Popular Name: (E)-4-{3-[(Diethylamino)carbonyl]anilino}-4-oxo-2-butenoic acid (E)-4-{3-[(Diethylamino)carbonyl…

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CAS Numbers: , 940208-18-4 , [940208-18-4]

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) 0.58 0.04 -59.27 1 6 -1 90 289.311 6 ↓

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