UCSF

ZINC49792701

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 28 Yes

Popular Name: N,N'-bis(3-carbamimidoylphenyl)hexanediamide N,N'-bis(3-carbamimidoylphenyl)h…

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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) 0.20 3.32 -77.86 10 8 2 161 382.468 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50420-7-O Trypanosoma Brucei Brucei (cluster #7 Of 7), Other Other 41 0.37 Functional ≤ 10μM
Z50725-1-O Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other Other 21 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50420 Z50420 Trypanosoma Brucei Brucei 41 0.37 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 21 0.38 Functional ≤ 10μM

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