UCSF

ZINC69976373

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

Find On: PubMed — Wikipedia — Google

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) 0.29 2.94 -36.48 3 4 1 55 208.285 3 ↓
Hi High (pH 8-9.5) 0.29 1.49 -6.29 2 4 0 50 207.277 3 ↓
Lo Low (pH 4.5-6) 0.29 3.39 -100.91 4 4 2 56 209.293 3 ↓

Activity (Go SEA)

Rings

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

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