UCSF

ZINC04897323

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 18 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) 5.07 1.83 -6.51 0 1 0 17 301.183 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0328668B1; US5045239 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 2490 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 2490 0.44 Functional ≤ 10μM

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