UCSF

ZINC05514253

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 14 Yes

Popular Name: 2-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethylamine 2-(3,4-Dihydro-2H-benzo[b][1,4]d…

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CAS Number: 109506-57-2

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) 0.70 3.26 -50.41 3 3 1 46 194.254 2 ↓

Vendor Notes

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

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