UCSF

ZINC62951178

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4,6-dimethyl-3-pyridyl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)-4…

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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) 2.98 8.18 -100.4 4 3 2 45 275.44 2 ↓
Mid Mid (pH 6-8) 2.98 7.81 -23.24 3 3 1 43 274.432 2 ↓

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Rings

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

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