UCSF

ZINC69976375

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 Yes

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

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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) 0.29 2.96 -39.17 3 4 1 55 208.285 3 ↓
Hi High (pH 8-9.5) 0.29 1.5 -6.48 2 4 0 50 207.277 3 ↓
Lo Low (pH 4.5-6) 0.29 3.31 -106.41 4 4 2 56 209.293 3 ↓

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

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