UCSF

ZINC01561854

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 20 Yes

Popular Name: 6966-25-2; nsc18758; sulfuric acid compound with N-(4'-((amino(imino)methyl)amino)[1,1'-biphenyl]-4-yl)guanidine (1:1) 6966-25-2; nsc18758; sulfuric ac…

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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) 1.60 6.02 -71.5 10 6 2 127 270.34 5 ↓
Hi High (pH 8-9.5) 1.47 5.5 -37.19 9 6 1 128 269.332 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50725-1-O Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other Other 270 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 270 0.46 Functional ≤ 10μM

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