UCSF

ZINC00402911

Annotations

Vendors

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) 3.58 6.9 -9.98 2 5 0 70 299.355 3

Vendor Notes

Note Type Comments Provided By
Melting Pt.: 234-236?C dec. Toronto Research Chemicals
Therapy anthelmintic SMDC Iconix
Purity CPV2000 APIChem
Solubility: DMSO Toronto Research Chemicals
PUBCHEM_PATENT_ID EP0008438A1; EP0025696A2; EP0060810A1; EP0090368A1; EP0132102A2; EP0132102B1; EP0164241A2; EP0164927A2; EP0167451A2; EP0197571A2; EP0197571B1; EP0211004A1; EP0214009A2; EP0224257A1; EP0227173A2; EP0227173B1; EP0236002A2; EP0236002B2; EP0236118A2; EP024016 IBM Patent Data
Target Others Selleck Chemicals
Indications veterinary anthelmintic KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100715-2-O Nippostrongylus Brasiliensis (cluster #2 Of 2), Other Other 120 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100715 Z100715 Nippostrongylus Brasiliensis 120 0.46 Functional ≤ 10μM

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

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