UCSF

ZINC00103721

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 18 Yes

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

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CAS Number: 328261-31-0

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) 1.55 5.16 -54.05 2 4 1 48 243.286 4 ↓
Lo Low (pH 4.5-6) 1.55 5.44 -116.3 3 4 2 49 244.294 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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