UCSF

ZINC14981999

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 11 Yes

Popular Name: 5-Acetyl-2-cyanopyridine 5-Acetyl-2-cyanopyridine

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CAS Number: 249583-84-4

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) 0.43 3.48 -8.71 0 3 0 54 146.149 1 ↓

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