UCSF

ZINC05071597

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 19 No

Popular Name: 1,3-Indandione, 2-(2,5-dimethylphenyl)-; 1H-Indene-1,3(2H)-dione, 2-(2,5-dimethylphenyl)-; 2-(2,5-Dimethylphenyl)-1,3-indandione; BRN 1976606; LS-81179 1,3-Indandione, 2-(2,5-dimethylp…

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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) 4.37 9.28 -45.86 0 2 -1 40 249.289 1 ↓
Lo Low (pH 4.5-6) 3.22 9.28 -8.65 0 2 0 34 250.297 1 ↓

Activity (Go SEA)

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