UCSF

ZINC19737991

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 Yes

Popular Name: N-(2-Ethoxyphenyl)-N-hexylamine N-(2-Ethoxyphenyl)-N-hexylamine

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CAS Numbers: 1040078-30-5 , [1040078-30-5]

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) 4.63 7.56 -3.05 1 2 0 21 221.344 8 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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