UCSF

ZINC54796896

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 18 Yes

Popular Name: N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-methyl-1H-imidazol-5-yl)methanamine N-[[(1R,5S)-8-methyl-8-azabicycl…

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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) 1.13 6.77 -92.67 4 4 2 50 250.39 4 ↓
Hi High (pH 8-9.5) 1.13 5.81 -33.6 3 4 1 45 249.382 4 ↓
Lo Low (pH 4.5-6) 1.13 7.2 -178.05 5 4 3 51 251.398 4 ↓

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

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