UCSF

ZINC01868518

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 19 Yes

Popular Name: Benzo[1,3]dioxol-5-ylmethyl-phenethyl-aminehydrochloride Benzo[1,3]dioxol-5-ylmethyl-phen…

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CAS Numbers: 1048327-84-9 , 3241-75-6 , 3548-74-1 , [1048327-84-9] , [3548-74-1]

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) 3.19 -0.52 -50.72 2 3 1 35 256.325 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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