UCSF

ZINC19282521

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 17 Yes

Popular Name: {3-[(2,4-dimethylphenoxy)methyl]phenyl}amine hydrochloride {3-[(2,4-dimethylphenoxy)methyl]…

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CAS Numbers: , 1019112-03-8 , 1417570-04-7

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) 3.47 7.02 -6.17 2 2 0 35 227.307 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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