UCSF

ZINC06439325

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 17 Yes

Popular Name: ethyl 5-(acetylamino)-4-cyano-3-methylthiophene-2-carboxylate ethyl 5-(acetylamino)-4-cyano-3-…

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CAS Number: 23903-49-3

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) 1.45 5 -9.05 1 5 0 79 252.295 4 ↓

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