UCSF

ZINC06626644

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 21 Yes

Popular Name: methyl 2-[(cyanoacetyl)amino]-5-phenylthiophene-3-carboxylate methyl 2-[(cyanoacetyl)amino]-5-…

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CAS Numbers: , 515872-98-7

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) 2.04 2.23 -15.48 1 5 0 79 300.339 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.