UCSF

ZINC05315716

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) 4.46 4.53 -4.03 0 7 0 94 347.293 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102116-1-O Toxoplasma Gondii RH (cluster #1 Of 2), Other Other 8200 0.30 Functional ≤ 10μM
Z50424-1-O Cryptosporidium Parvum (cluster #1 Of 2), Other Other 1900 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50424 Z50424 Cryptosporidium Parvum 1900 0.33 Functional ≤ 10μM
Z102116 Z102116 Toxoplasma Gondii RH 1500 0.34 Functional ≤ 10μM

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