UCSF

ZINC13671779

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 23 No

Popular Name: N4,N4,N6,N6-tetramethyl-N2-[(5-nitro-2-furyl)methyleneamino]-1,3,5-triazine-2,4,6-triamine N4,N4,N6,N6-tetramethyl-N2-[(5-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) 2.17 11.8 -23.84 1 11 0 129 320.313 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50420-4-O Trypanosoma Brucei Brucei (cluster #4 Of 7), Other Other 300 0.40 Functional ≤ 10μM
Z50466-7-O Trypanosoma Cruzi (cluster #7 Of 8), Other Other 380 0.39 Functional ≤ 10μM
Z50725-2-O Trypanosoma Brucei Rhodesiense (cluster #2 Of 7), Other Other 3 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50420 Z50420 Trypanosoma Brucei Brucei 200 0.41 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 3 0.52 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 380 0.39 Functional ≤ 10μM

Rings

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

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