UCSF

ZINC67935163

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3,7-dimethyl-3,7,10-triazaspiro[5.5]undecan-10-yl)-[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanone (3,7-dimethyl-3,7,10-triazaspiro…

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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) -0.16 4.62 -47.94 1 7 1 65 359.516 2 ↓
Lo Low (pH 4.5-6) -0.16 5.79 -115.44 2 7 2 67 360.524 2 ↓

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Rings

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

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