UCSF

ZINC02840617

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 16 Yes

Popular Name: 4-(2-Methoxyphenyl)oxane-4-carbonitrile 4-(2-Methoxyphenyl)oxane-4-carbo…

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CAS Numbers: 694463-31-5 , N/A

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) 2.16 1.94 -7.9 0 3 0 42 217.268 2 ↓

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