UCSF

ZINC36160834

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 No

Popular Name: 5-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3,4-thiadiaz 5-[3-chloro-5-(trifluoromethyl)-…

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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) 2.55 9.54 -27.88 2 4 1 56 494.655 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100258-1-O AF2 Neuropeptide Receptor (cluster #1 Of 1), Other Other 2400 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100258 Z100258 AF2 Neuropeptide Receptor 2400 0.27 Binding ≤ 10μM

Rings

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

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