UCSF

ZINC57824769

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 12 Yes

Popular Name: (S)-Methyl 2-amino-2-cyclohexylacetate hydrochloride (S)-Methyl 2-amino-2-cyclohexyla…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14328-63-3 , 14328-64-4 , 145618-11-7/14328-63-3 , 322392-74-5 , 784129-23-3 , [14328-63-3]

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) 1.33 3.36 -3.34 2 3 0 52 171.24 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP1016663A1; WO2000040571A1 IBM Patent Data

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