UCSF

ZINC59796867

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 14 Yes

Popular Name: Ethyl 2-amino-3-(pyridin-2-yl)propanoate Ethyl 2-amino-3-(pyridin-2-yl)pr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103394-76-9 , 33560-87-1 , N/A , [103394-76-9]

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) 0.05 2.88 -6.23 2 4 0 65 194.234 5 ↓
Lo Low (pH 4.5-6) 0.05 3.69 -107.52 4 4 2 68 196.25 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US4806538; US4940709 IBM Patent Data

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