UCSF

ZINC04170983

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 23 No

Popular Name: 4-benzoyl-3-hydroxy-1-oxa-7,9-diazaspiro[4.5]dec-3-ene-2,6,8,10-tetrone 4-benzoyl-3-hydroxy-1-oxa-7,9-di…

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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) -0.51 -2.66 -106.87 1 9 -2 148 314.209 2 ↓
Mid Mid (pH 6-8) -1.93 -4.03 -25.47 3 9 0 138 316.225 1 ↓
Mid Mid (pH 6-8) -2.96 -3.55 -11.85 2 9 0 135 316.225 2 ↓
Lo Low (pH 4.5-6) -0.70 0.29 -37.45 2 9 -1 142 315.217 2 ↓
Lo Low (pH 4.5-6) -1.07 -0.3 -98.9 1 9 -2 148 314.209 2 ↓

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Rings

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

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