UCSF

ZINC06658111

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 10 Yes

Popular Name: Octahydro-2H-1,4-benzoxazine hydrobromide Octahydro-2H-1,4-benzoxazine hyd…

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CAS Numbers: , 52769-11-6 , 74572-19-3

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) 1.33 2.6 -37.14 2 2 1 26 142.222 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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