UCSF

ZINC02166507

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 22 Yes

Popular Name: 4-(2,4-Di-tert-pentylphenoxy)butanenitrile 4-(2,4-Di-tert-pentylphenoxy)but…

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CAS Numbers: 36268-65-2 , [36268-65-2]

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) 5.71 5.6 -8.38 0 2 0 33 301.474 8 ↓

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