UCSF

ZINC65491963

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: [(1R,6S)-4,9-diazabicyclo[4.2.1]nonan-9-yl]-(3-phenoxyphenyl)methanone [(1R,6S)-4,9-diazabicyclo[4.2.1]…

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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) 2.58 8.94 -47.97 2 4 1 46 323.416 3 ↓
Hi High (pH 8-9.5) 2.58 7.83 -12.28 1 4 0 42 322.408 3 ↓

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Rings

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

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