UCSF

ZINC65527334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 16 Yes

Popular Name: 2-(3-methyl-3,8-diazaspiro[4.5]decan-8-yl)propane-1,3-diol 2-(3-methyl-3,8-diazaspiro[4.5]d…

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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) -0.30 2.8 -86.57 4 4 2 49 230.352 3 ↓
Hi High (pH 8-9.5) -0.30 0.18 -33.14 3 4 1 48 229.344 3 ↓
Hi High (pH 8-9.5) -0.30 0.54 -37.18 3 4 1 48 229.344 3 ↓

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Rings

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

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