UCSF

ZINC29786485

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 16 No

Popular Name: 4-(2-Methoxyanilino)-4-oxobut-2-enoic acid 4-(2-Methoxyanilino)-4-oxobut-2-…

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CAS Number: 36847-94-6

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) 0.89 4.83 -59.8 1 5 -1 78 220.204 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 143-145? Alfa-Aesar
Melting_Point 143-145° Alfa-Aesar

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