UCSF

ZINC39051731

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 9 No

Popular Name: 3-(Chloromethyl)-2-methylpyridine hydrochloride 3-(Chloromethyl)-2-methylpyridin…

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CAS Numbers: , 120277-68-1 , 58539-77-8 , [58539-77-8]

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) 1.66 4.51 -4.86 0 1 0 13 141.601 1 ↓
Lo Low (pH 4.5-6) 1.66 4.93 -30.76 1 1 1 14 142.609 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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