UCSF

ZINC69791358

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 13 No

Popular Name: (1R,5S)-8-but-3-ynyl-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-but-3-ynyl-8-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) 0.72 6.42 -43.31 1 2 1 22 178.255 2 ↓
Mid Mid (pH 6-8) 0.72 4.29 -5.33 0 2 0 20 177.247 2 ↓

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

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