UCSF

ZINC65525566

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 19 Yes

Popular Name: (1R,6S)-9-[[2-(methylamino)-3-pyridyl]methyl]-4,9-diazabicyclo[4.2.1]nonan-3-one (1R,6S)-9-[[2-(methylamino)-3-py…

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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) 1.49 4.65 -47.07 3 5 1 58 261.349 3 ↓
Hi High (pH 8-9.5) 1.49 2.45 -10.39 2 5 0 57 260.341 3 ↓
Mid Mid (pH 6-8) 1.49 5.03 -106.43 4 5 2 60 262.357 3 ↓

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

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