UCSF

ZINC06783905

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 22 Yes

Popular Name: diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate diethyl 5-[(cyanoacetyl)amino]-3…

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CAS Numbers: , 514218-53-2

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) 1.32 2.59 -19.89 1 7 0 105 324.358 8 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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