UCSF

ZINC09259497

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 16 No

Popular Name: (E)-4-[(2-Chlorobenzyl)amino]-4-oxo-2-butenoic acid (E)-4-[(2-Chlorobenzyl)amino]-4-…

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CAS Numbers: , 904785-36-0 , [904785-36-0]

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) 1.21 4.27 -48.33 1 4 -1 69 238.65 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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