UCSF

ZINC02569507

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 Yes

Popular Name: N-Boc-DL-3-Cyanophenylalanine N-Boc-DL-3-Cyanophenylalanine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 131980-30-8 , 191872-32-9 , 205445-56-3 , [191872-32-9] , [205445-56-3]

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) 2.24 1.72 -53.84 1 6 -1 102 289.311 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0728132A1; EP0728132B1; US5750520; US5861393 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.