UCSF

ZINC56897520

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) 5.72 14.94 -32.01 1 10 -1 144 581.649 10
Ref Reference (pH 7) 5.72 14.85 -31 1 10 -1 144 581.649 10
Lo Low (pH 4.5-6) 5.72 17.46 -45.92 2 10 0 145 582.657 10
Lo Low (pH 4.5-6) 5.72 17.38 -41.76 2 10 0 145 582.657 10

Vendor Notes

Note Type Comments Provided By
Indications Antihypertensive KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50466-1-O Trypanosoma Cruzi (cluster #1 Of 8), Other Other 2900 0.18 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 2900 0.18 Functional ≤ 10μM

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

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