UCSF

ZINC00295007

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 19 Yes

Popular Name: Benzyl-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amine Benzyl-(2,3-dihydro-benzo[1,4]di…

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CAS Numbers: 2096-86-8 , 2164-42-3

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) 2.64 7.59 -45.55 2 3 1 35 256.325 4 ↓
Hi High (pH 8-9.5) 2.64 6.23 -6.17 1 3 0 30 255.317 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 180°/1.5 Torr Matrix Scientific
MP 41° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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