UCSF

ZINC13377889

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 Yes

CAS Number: 36062-05-2

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) 2.43 4.59 -15.59 3 6 0 96 374.433 10

Vendor Notes

Note Type Comments Provided By
Target Cadherin-1(P12830)&Transforming growth factor beta-1(P01137) Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50420-1-O Trypanosoma Brucei Brucei (cluster #1 Of 7), Other Other 5900 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50420 Z50420 Trypanosoma Brucei Brucei 5900 0.27 Functional ≤ 10μM

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