UCSF

ZINC62954764

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Substance Information

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

Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-5-methyl-furan-2-carboxylic 4-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 2.61 10.2 -68.12 1 4 0 58 277.364 3 ↓
Hi High (pH 8-9.5) 2.61 7.92 -50.42 0 4 -1 57 276.356 3 ↓

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

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