UCSF

ZINC20286456

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 Yes

Popular Name: 3-benzyl-3,9-diazabicyclo[3.3.2]decane 3-benzyl-3,9-diazabicyclo[3.3.2]…

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CAS Number: 1049874-66-9

Other Names:

MFCD10686962

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) 2.65 7.58 -26.61 2 2 1 16 231.363 2 ↓
Mid Mid (pH 6-8) 2.65 8.34 -105.05 3 2 2 21 232.371 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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