UCSF

ZINC67726830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: [4-[(5R)-3-methyl-3,7-diazaspiro[4.5]decan-7-yl]-1-piperidyl]-pyrazin-2-yl-methanone [4-[(5R)-3-methyl-3,7-diazaspiro…

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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) 0.96 8.46 -107.14 2 6 2 55 345.491 2 ↓
Mid Mid (pH 6-8) 0.96 6.43 -40.94 1 6 1 54 344.483 2 ↓
Mid Mid (pH 6-8) 0.96 5.77 -43.73 1 6 1 54 344.483 2 ↓

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

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