UCSF

ZINC58541050

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 21 No

Popular Name: N-(4-carbamimidoylphenyl)-2-(2-nitroimidazol-1-yl)acetamide N-(4-carbamimidoylphenyl)-2-(2-n…

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Download: MOL2 SDF SMILES Flexibase

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) -0.54 6.24 -50.33 5 9 1 144 289.275 5 ↓
Lo Low (pH 4.5-6) -0.54 6.72 -85.88 6 9 2 146 290.283 5 ↓

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 6000 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 6000 0.35 Functional ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.