UCSF

ZINC58538503

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 21 No

Popular Name: N2,N6-dimethyl-N4-[(Z)-(5-nitro-2-furyl)methyleneamino]-1,3,5-triazine-2,4,6-triamine N2,N6-dimethyl-N4-[(Z)-(5-nitro-…

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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) 1.45 7.98 -22 3 11 0 146 292.259 6 ↓
Lo Low (pH 4.5-6) 1.45 8.39 -34.49 4 11 1 147 293.267 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50725-2-O Trypanosoma Brucei Rhodesiense (cluster #2 Of 7), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 0.1 0.67 Functional ≤ 10μM

Rings

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

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