UCSF

ZINC02560740

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: (R)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid (R)-4-Amino-5-(tert-butoxy)-5-ox…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 200616-62-2 , 25456-76-2 , 45120-30-7 , 57294-38-9 , [25456-76-2] , [57294-38-9]

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) 0.01 3.87 -58.59 3 5 0 94 203.238 6 ↓
Mid Mid (pH 6-8) 0.01 3.53 -44.45 2 5 -1 92 202.23 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0737197A1; EP0792289A1; EP0792289B1; EP0863877A1; EP0948495A1; EP0999220A2; EP0999220A3; US5051448; US5389639; US5541290; US5798337; US5874443; US6034056; US6034216; US6096712; WO1992002542A1; WO1995000535A1; WO1995007291A1; WO1996015148A2; WO1996020216 IBM Patent Data

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

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