UCSF

ZINC48968389

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 Yes

Popular Name: [(1R,4S)-5-azabicyclo[2.2.1]heptan-5-yl]-[6-(cyclopropylamino)-3-pyridyl]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) 1.13 6.43 -11.44 1 4 0 45 257.337 3 ↓
Lo Low (pH 4.5-6) 1.13 6.88 -33.62 2 4 1 46 258.345 3 ↓

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Rings

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

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