UCSF

ZINC34675532

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 19 Yes

Popular Name: N-(1,3-Benzodioxol-5-ylmethyl)-1-ethylpiperidin-4-amine N-(1,3-Benzodioxol-5-ylmethyl)-1…

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CAS Numbers: , 416868-09-2

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) 2.18 5.62 -38.54 2 4 1 35 263.361 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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