UCSF

ZINC69792246

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: [(1S)-6-azaspiro[2.5]octan-1-yl]-piperazin-1-yl-methanone [(1S)-6-azaspiro[2.5]octan-1-yl]…

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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) -0.52 3.32 -115.68 4 4 2 54 225.336 1 ↓
Mid Mid (pH 6-8) -0.52 1.94 -49.35 3 4 1 49 224.328 1 ↓

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Rings

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

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