UCSF

ZINC67947470

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 24 Yes

Popular Name: 3-[[4-(9-azaspiro[5.5]undecan-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[4-(9-azaspiro[5.5]undecan-3-…

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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) 0.55 4.32 -93.6 3 6 2 63 335.496 3 ↓
Hi High (pH 8-9.5) 0.55 2.11 -44.93 2 6 1 62 334.488 3 ↓

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Rings

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

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