UCSF

ZINC04451603

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 12 Yes

Popular Name: 7-Methyl-2,3-dihydro-benzo[1,4]dioxin-6-ylamine 7-Methyl-2,3-dihydro-benzo[1,4]d…

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CAS Numbers: 1134690-09-7 , 59820-84-7 , [59820-84-7]

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) 1.31 2.28 -6.31 2 3 0 44 165.192 0 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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