UCSF

ZINC67559390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 22 Yes

Popular Name: 5-methyl-9-[2-(2-pyridyl)acetyl]-2,5,9-triazaspiro[5.5]undecan-1-one 5-methyl-9-[2-(2-pyridyl)acetyl]…

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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) -0.24 4.15 -52.45 2 6 1 67 303.386 2 ↓
Mid Mid (pH 6-8) -0.24 1.96 -14.46 1 6 0 66 302.378 2 ↓

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

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