UCSF

ZINC69792524

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3S)-4-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-3-methyl-morpholine (3S)-4-[[(2R)-6-azaspiro[2.5]oct…

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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) 1.04 3.39 -40.72 2 3 1 29 225.356 2 ↓
Mid Mid (pH 6-8) 1.04 5.6 -93.43 3 3 2 30 226.364 2 ↓

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Rings

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

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