UCSF

ZINC36671067

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 9 Yes

Popular Name: ethyl N-methyl-beta-alaninate ethyl N-methyl-beta-alaninate

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 2213-08-3 , 2213/8/3

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) 0.30 3.08 -42.06 2 3 1 43 132.183 5 ↓
Hi High (pH 8-9.5) 0.30 1.64 -4.71 1 3 0 38 131.175 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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