UCSF

ZINC69976368

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 14 Yes

Popular Name: [2-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]-1H-imidazol-4-yl]methanamine [2-[(1R,4S,5R)-7-oxabicyclo[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) -0.08 1.08 -44.02 4 4 1 66 194.258 2 ↓
Hi High (pH 8-9.5) -0.08 0.62 -6.95 3 4 0 64 193.25 2 ↓
Lo Low (pH 4.5-6) -0.08 1.44 -111.96 5 4 2 67 195.266 2 ↓

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Rings

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

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