UCSF

ZINC00795103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 18 Yes

Popular Name: Benzo[1,3]dioxol-5-ylmethyl-pyridin-2-ylmethyl-amine Benzo[1,3]dioxol-5-ylmethyl-pyri…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1609406-32-7 , 626210-49-9

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) 1.62 5.1 -48.32 2 4 1 48 243.286 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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