UCSF

ZINC62951183

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Substance Information

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

Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)-6…

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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) 3.04 8.73 -102.51 4 3 2 45 287.451 2 ↓
Hi High (pH 8-9.5) 3.04 8.31 -50.05 3 3 1 44 286.443 2 ↓
Hi High (pH 8-9.5) 3.04 8.34 -22.75 3 3 1 43 286.443 2 ↓

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

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