UCSF

ZINC04298688

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 17 Yes

Popular Name: Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine hydrochloride Benzo[1,3]dioxol-5-ylmethyl-(3-e…

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CAS Numbers: 1052412-33-5 , 774551-36-9 , [1052412-33-5]

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) 2.02 -1.43 -48.65 2 4 1 44 238.307 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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