UCSF

ZINC52543864

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 15 Yes

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

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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) 0.78 3.62 -99.64 4 4 2 58 209.293 3 ↓
Hi High (pH 8-9.5) 0.78 3.22 -37.36 3 4 1 56 208.285 3 ↓

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Rings

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

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