UCSF

ZINC19230066

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 17 Yes

Popular Name: 1-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methyl)piperazine 1-((2,3-Dihydrobenzo[b][1,4]diox…

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CAS Numbers: 67869-88-9 , [67869-88-9]

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) 0.55 2.57 -42.66 2 4 1 38 235.307 2 ↓
Hi High (pH 8-9.5) 0.55 1.17 -5.93 1 4 0 34 234.299 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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