UCSF

ZINC00275544

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 20 Yes

Popular Name: Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine Benzo[1,3]dioxol-5-ylmethyl-(2-m…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1158592-92-7 , 418774-45-5 , [1158592-92-7] , [418774-45-5]

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) 2.79 -0.54 -45.44 2 4 1 44 272.324 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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