UCSF

ZINC05138341

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) 1.86 5.43 -42.8 4 4 1 73 298.41 7
Lo Low (pH 4.5-6) 1.86 5.59 -107.37 5 4 2 74 299.418 7

Vendor Notes

Note Type Comments Provided By
Indications antiarrhythmic KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 5000 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 3200 0.35 Functional ≤ 10μM

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