UCSF

ZINC34049552

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 25 No

Popular Name: 1,7-bis(3,4-dihydroxyphenyl)heptane-3,5-dione 1,7-bis(3,4-dihydroxyphenyl)hept…

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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) 1.63 3.72 -25.49 4 6 0 115 344.363 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50420-1-O Trypanosoma Brucei Brucei (cluster #1 Of 7), Other Other 1900 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50420 Z50420 Trypanosoma Brucei Brucei 1500 0.33 Functional ≤ 10μM

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