UCSF

ZINC35017490

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 Yes

Popular Name: 1,2-bis(4-chlorophenyl)-5-hydroxy-4-[4-(trifluoromethoxy)benzoyl]pyrazol-3-one 1,2-bis(4-chlorophenyl)-5-hydrox…

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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) 6.06 11.32 -40.34 0 6 -1 76 508.259 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MURB-1-B UDP-N-acetylmuramate Dehydrogenase (cluster #1 Of 1), Bacterial Bacteria 5400 0.22 Binding ≤ 10μM
Z50186-2-O Staphylococcus Epidermidis (cluster #2 Of 2), Other Other 2000 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MURB_ECOLI P08373 UDP-N-acetylmuramate Dehydrogenase, Ecoli 5400 0.22 Binding ≤ 10μM
Z50186 Z50186 Staphylococcus Epidermidis 2000 0.23 Functional ≤ 10μM

Rings

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

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