UCSF

ZINC20357681

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 9 Yes

Popular Name: (4-Methylpyridin-3-yl)methylamine (4-Methylpyridin-3-yl)methylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1443-42-1 , 3246-57-9 , [1443-42-1]

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) 0.26 1.37 -48.34 3 2 1 41 123.179 1 ↓
Hi High (pH 8-9.5) 0.26 0.98 -5.21 2 2 0 39 122.171 1 ↓
Lo Low (pH 4.5-6) 0.26 1.81 -102.75 4 2 2 42 124.187 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.