UCSF

ZINC62952488

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 Yes

Popular Name: [(1R,5S)-3-(4-ethyl-4-methyl-1-piperidyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine [(1R,5S)-3-(4-ethyl-4-methyl-1-p…

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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) 1.91 7.42 -29.79 3 3 1 34 280.48 3 ↓
Mid Mid (pH 6-8) 1.91 7.41 -104.54 4 3 2 35 281.488 3 ↓
Lo Low (pH 4.5-6) 1.91 7.56 -211.62 5 3 3 37 282.496 3 ↓

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

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