UCSF

ZINC02470960

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 14 Yes

Popular Name: {2-[2-(2-aminoethoxy)phenoxy]ethyl}amine dihydrochloride {2-[2-(2-aminoethoxy)phenoxy]eth…

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CAS Number: 42988-85-2

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) -0.78 0.46 -101.38 6 4 2 74 198.266 6 ↓
Hi High (pH 8-9.5) -0.78 0.04 -41.77 5 4 1 72 197.258 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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