UCSF

ZINC32628037

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 17 Yes

Popular Name: 2-benzyl-2-azabicyclo[2.2.2]octane-1-carbonitrile 2-benzyl-2-azabicyclo[2.2.2]octa…

Find On: PubMed — Wikipedia — Google

CAS Number: 1114824-04-2

Other Names:

MFCD11857804

MFCD13806379

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) 2.76 8.99 -35.34 1 2 1 28 227.331 2 ↓
Mid Mid (pH 6-8) 2.76 6.81 -5.67 0 2 0 27 226.323 2 ↓

Vendor Notes

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

Activity (Go SEA)

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