UCSF

ZINC62953580

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: 5-(8-azaspiro[4.5]decan-8-yl)-2-methyl-aniline 5-(8-azaspiro[4.5]decan-8-yl)-2-…

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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) 3.79 7.63 -2.9 2 2 0 29 244.382 1 ↓
Mid Mid (pH 6-8) 3.79 8.33 -29.51 3 2 1 30 245.39 1 ↓

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Rings

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

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