UCSF

ZINC04578554

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 14 No

Popular Name: cis-4-oxo-4-(phenylamino)but-2-enoic acid cis-4-oxo-4-(phenylamino)but-2-e…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 37902-58-2 , 555-59-9

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) 0.88 4.5 -60.39 1 4 -1 69 190.178 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 176-178? Alfa-Aesar
Melting_Point 176-178° Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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