UCSF

ZINC67934039

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 21 Yes

Popular Name: (5S)-9-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane (5S)-9-[(2-propylsulfanylpyrimid…

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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) 2.38 6.22 -44.88 2 4 1 46 307.487 5 ↓
Mid Mid (pH 6-8) 2.38 8.12 -112.73 3 4 2 47 308.495 5 ↓

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

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