UCSF

ZINC69791356

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 No

Popular Name: (1R,5S)-9-but-3-ynyl-9-azabicyclo[3.3.1]nonan-7-one (1R,5S)-9-but-3-ynyl-9-azabicycl…

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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) 1.23 6.66 -44.73 1 2 1 22 192.282 2 ↓
Mid Mid (pH 6-8) 1.23 4.67 -5.5 0 2 0 20 191.274 2 ↓

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

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