UCSF

ZINC52543830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 Yes

Popular Name: 1-[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]isoxazol-3-yl]-N-methyl-methanamine 1-[5-[[(1S,4R)-5-azabicyclo[2.2.…

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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) 1.16 5.49 -94.58 3 4 2 47 223.32 4 ↓
Hi High (pH 8-9.5) 1.16 4.04 -37.31 2 4 1 42 222.312 4 ↓

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Rings

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

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