UCSF

ZINC62959688

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: 8-azaspiro[4.5]decan-8-yl-(3-hydroxy-2-pyridyl)methanone 8-azaspiro[4.5]decan-8-yl-(3-hyd…

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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) 2.21 7.16 -52.45 0 4 -1 56 259.329 1 ↓
Mid Mid (pH 6-8) 2.21 6.15 -9.73 1 4 0 53 260.337 1 ↓
Mid Mid (pH 6-8) 2.21 5.18 -28.18 1 4 0 58 260.337 1 ↓

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

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