UCSF

ZINC69792474

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 No

Popular Name: 4-[[(1S)-6-azaspiro[2.5]octan-1-yl]methyl]thiomorpholine 4-[[(1S)-6-azaspiro[2.5]octan-1-…

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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) 1.25 7.26 -93.24 3 2 2 21 228.405 2 ↓
Mid Mid (pH 6-8) 1.25 5.17 -40.34 2 2 1 20 227.397 2 ↓

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

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