UCSF

ZINC00404445

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: Methyl 2-pyridylacetate Methyl 2-pyridylacetate

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CAS Numbers: 1658-42-0 , [1658-42-0]

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) 0.81 4.29 -9.83 0 3 0 39 151.165 3 ↓
Lo Low (pH 4.5-6) 0.81 4.56 -31.06 1 3 1 40 152.173 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 137 / 27 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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