UCSF

ZINC63006382

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 20 Yes

Popular Name: [(1R,4S)-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(ethylamino)-3,5-difluoro-phenyl]methanone [(1R,4S)-5-azabicyclo[2.2.1]hept…

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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) 2.21 6.58 -8.01 1 3 0 32 280.318 3 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.