UCSF

ZINC13671782

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 19 No

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) 0.51 6.91 -19.67 5 10 0 161 280.273 4

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 850 0.45 Functional ≤ 10μM
Z50466-7-O Trypanosoma Cruzi (cluster #7 Of 8), Other Other 2600 0.41 Functional ≤ 10μM
Z50725-2-O Trypanosoma Brucei Rhodesiense (cluster #2 Of 7), Other Other 240 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50420 Z50420 Trypanosoma Brucei Brucei 1520 0.43 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 240 0.49 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 2600 0.41 Functional ≤ 10μM

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

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