UCSF

ZINC03913644

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 13 Yes

Popular Name: 2-(4-Fluorophenyl)-3-oxobutanenitrile 2-(4-Fluorophenyl)-3-oxobutaneni…

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CAS Number: 447-03-0

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) 1.87 6.04 -10.31 0 2 0 41 177.178 2 ↓

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