UCSF

ZINC04245286

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 No

Popular Name: 4-(2-Fluoro-4-trifluoromethyl-phenyl)-thiazol-2-ylamine 4-(2-Fluoro-4-trifluoromethyl-ph…

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CAS Number: 886494-92-4

Other Names:

MFCD06739840

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) 3.14 5.53 -5.19 2 2 0 39 262.231 2 ↓
Lo Low (pH 4.5-6) 3.14 5.74 -33 3 2 1 40 263.239 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPOR-1-E Thrombopoietin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 260 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 260 0.54 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Platelet Aggregation (Plug Formation)

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

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