UCSF

ZINC28707598

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 15 Yes

Popular Name: 3-Benzyl-3,8-diazabicyclo[3.2.1]octane 3-Benzyl-3,8-diazabicyclo[3.2.1]…

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CAS Numbers: 67571-90-8 , 93428-54-7 , N/A , [67571-90-8]

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) 1.76 5.21 -36 2 2 1 20 203.309 2 ↓
Mid Mid (pH 6-8) 1.77 6.92 -111.72 3 2 2 21 204.317 2 ↓
Mid Mid (pH 6-8) 1.77 5.69 -31.71 2 2 1 16 203.309 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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