UCSF

ZINC62952710

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: [(1R,5S)-3-(8-azaspiro[4.5]decan-8-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine [(1R,5S)-3-(8-azaspiro[4.5]decan…

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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) 1.90 8.18 -29.96 3 3 1 34 292.491 2 ↓
Mid Mid (pH 6-8) 1.90 8.13 -105.97 4 3 2 35 293.499 2 ↓
Lo Low (pH 4.5-6) 1.90 8.31 -214.88 5 3 3 37 294.507 2 ↓

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

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