UCSF

ZINC38338210

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 9 Yes

Popular Name: (S,S)-2,8-Diazabicyclo [4,3,0]nonane (S,S)-2,8-Diazabicyclo [4,3,0]no…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 151213-40-0 , 151213-40-0; 151213-42-2 , 151213-42-2 , 5654-94-4 , [151213-42-2]

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) 0.50 -1.15 -38.42 2 2 0 31 126.203 0 ↓
Mid Mid (pH 6-8) 0.50 0.67 -34.07 3 2 1 29 127.211 0 ↓
Lo Low (pH 4.5-6) 0.50 2 -108.74 4 2 2 33 128.219 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO2000031077A1 IBM Patent Data

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