UCSF

ZINC00266922

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 16 Yes

Popular Name: (4-Fluorobenzyl)pyridin-3-ylmethylamine (4-Fluorobenzyl)pyridin-3-ylmeth…

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CAS Numbers: 113248-64-9 , 94-48-4 , [113248-64-9]

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) 1.82 6.56 -52.22 2 2 1 29 217.267 4 ↓
Lo Low (pH 4.5-6) 1.82 6.84 -114.35 3 2 2 31 218.275 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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