UCSF

ZINC34675530

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 18 Yes

Popular Name: Benzo[1,3]dioxol-5-ylmethyl-(1-methyl-piperidin-4-yl)-amine Benzo[1,3]dioxol-5-ylmethyl-(1-m…

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CAS Numbers: 416865-72-0 , [416865-72-0]

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) 1.81 4.96 -39.38 2 4 1 35 249.334 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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