UCSF

ZINC00393945

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: methyl 2-(pyridin-3-yl)acetate methyl 2-(pyridin-3-yl)acetate

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CAS Numbers: 39998-25-9 , 69966-42-3 , [39998-25-9]

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) 0.74 4.15 -8.67 0 3 0 39 151.165 3 ↓
Lo Low (pH 4.5-6) 0.74 4.43 -34.45 1 3 1 40 152.173 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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