UCSF

ZINC33826583

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 20 No

Popular Name: 2-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)ethanone; Ethanone, 2-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-; LS-67382; beta-(3,4-Dihydroxyphenyl)-2,3,4-trihydroxyacetophenone 2-(3,4-Dihydroxyphenyl)-1-(2,3,4…

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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) 1.26 -2.11 -19.02 5 6 0 118 276.244 3 ↓
Hi High (pH 8-9.5) 1.26 -1.03 -60.53 4 6 -1 121 275.236 3 ↓

Activity (Go SEA)

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