UCSF

ZINC54768022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 18 Yes

Popular Name: 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine 1-[(1R,5S)-8-methyl-8-azabicyclo…

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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) 0.57 6.71 -106.77 3 4 2 47 248.374 4 ↓
Mid Mid (pH 6-8) 0.57 5.79 -35.76 2 4 1 42 247.366 4 ↓

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

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