UCSF

ZINC06261798

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 18 No

Popular Name: 2-{[(4-fluorobenzoyl)oxy]ethanimidoyl}-1,3-thiazole 2-{[(4-fluorobenzoyl)oxy]ethanim…

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CAS Number: 866149-24-8

Other Names:

MFCD04126396

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) 2.82 7.36 -10.01 0 4 0 52 264.281 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 183 - 184 KeyOrganics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RBBP9-1-E Putative Hydrolase RBBP9 (cluster #1 Of 1), Eukaryotic Eukaryotes 5700 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RBBP9_HUMAN O75884 Putative Hydrolase RBBP9, Human 5700 0.41 Binding ≤ 10μM

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

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