UCSF

ZINC62957231

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Substance Information

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

Popular Name: N-[[4-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydropyran-4-yl]methyl]ethanamine N-[[4-(8-azaspiro[4.5]decan-8-yl…

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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) 2.50 8.76 -112.9 3 3 2 30 296.499 5 ↓
Hi High (pH 8-9.5) 2.50 7.85 -35.78 2 3 1 26 295.491 5 ↓
Mid Mid (pH 6-8) 2.50 7.01 -38.71 2 3 1 29 295.491 5 ↓

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

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