UCSF

ZINC06882674

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2006 21 Yes

Popular Name: (2S,4S)-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (2S,4S)-1-(tert-Butoxycarbonyl)-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 158567-91-0 , 336818-78-1 , 96314-29-3 , [96314-29-3]

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) 1.35 8.12 -57.85 0 5 -1 70 290.339 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0490667A3; EP0490667B1 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.