UCSF

ZINC01684385

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 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) 0.50 1.03 -22.52 2 6 0 97 155.113 2

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 2300 0.72 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 2000 0.73 Functional ≤ 10μM

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