UCSF

ZINC00250766

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 18 Yes

Popular Name: Benzo[1,3]dioxol-5-ylmethyl-benzyl-amine Benzo[1,3]dioxol-5-ylmethyl-benz…

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CAS Number: 4720-73-4

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 -0.65 -49.82 2 3 1 35 242.298 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 130°/0.25 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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