UCSF

ZINC03886826

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 13 Yes

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine hydrochloride 2-(2,3-dihydro-1,4-benzodioxin-6…

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CAS Numbers: 10554-64-0 , 22310-84-5

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) 0.43 2.48 -49.13 3 3 1 46 180.227 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 116 - 118 Enamine Building Blocks
MP 116...118 Enamine Building Blocks
MP 138 - 140 Enamine Building Blocks
MP 138...140 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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