UCSF

ZINC28967274

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 31 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) 6.93 10.9 -3.17 2 2 0 40 428.701 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50420-3-O Trypanosoma Brucei Brucei (cluster #3 Of 7), Other Other 7800 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50420 Z50420 Trypanosoma Brucei Brucei 7800 0.23 Functional ≤ 10μM

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