UCSF

ZINC54705295

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 25 No

Popular Name: 8-[4-(1,3-dithiolan-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[4-(1,3-dithiolan-2-yl)benzoyl…

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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) 0.84 4.91 -14.64 2 6 0 79 377.491 2 ↓
Hi High (pH 8-9.5) 1.02 2.27 -46.64 1 6 -1 85 376.483 2 ↓

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

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