UCSF

ZINC02046751

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 16 Yes

Popular Name: Ethyl 2-cyano-2-phenylbutanoate Ethyl 2-cyano-2-phenylbutanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 718-71-8 , [718-71-8]

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) 2.88 4.41 -7.84 0 3 0 50 217.268 5 ↓

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