UCSF

ZINC06126236

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 22 Yes

Popular Name: methyl 2-[(cyanoacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate methyl 2-[(cyanoacetyl)amino]-4-…

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CAS Numbers: , 546116-59-0

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) 2.00 2.94 -19.07 1 5 0 79 318.329 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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