UCSF

ZINC69976376

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 Yes

Popular Name: N-[[2-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]-1H-imidazol-4-yl]methyl]ethanamine N-[[2-[(1R,4S,5S)-7-oxabicyclo[2…

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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) 0.67 3.8 -35.62 3 4 1 55 222.312 4 ↓
Hi High (pH 8-9.5) 0.67 2.42 -6.13 2 4 0 50 221.304 4 ↓
Lo Low (pH 4.5-6) 0.67 4.25 -101.39 4 4 2 56 223.32 4 ↓

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

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