UCSF

ZINC67433552

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

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

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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) 1.07 4.32 -37.53 2 6 1 57 337.488 2 ↓
Hi High (pH 8-9.5) 1.07 3.07 -10.15 1 6 0 56 336.48 2 ↓
Mid Mid (pH 6-8) 1.07 6.5 -94.29 3 6 2 58 338.496 2 ↓

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

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