UCSF

ZINC05563434

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 23 Yes

Popular Name: 3-[(oxoBLAHyl)methyl]benzonitrile 3-[(oxoBLAHyl)methyl]benzonitrile

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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) 2.80 2.79 -26.17 0 5 0 71 301.305 2 ↓

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