UCSF

ZINC26896629

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 16 Yes

Popular Name: 2-benzyl-2,7-diazaspiro[4.4]nonane 2-benzyl-2,7-diazaspiro[4.4]nonane

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CAS Numbers: 885275-27-4 , 920531-65-3

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) 1.86 7.32 -102.6 3 2 2 21 218.344 2 ↓
Hi High (pH 8-9.5) 1.86 5.9 -34.98 2 2 1 16 217.336 2 ↓

Vendor Notes

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

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