UCSF

ZINC35017481

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(3-chlorophenyl)-3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide 1,2-bis(3-chlorophenyl)-3-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) 5.80 11.87 -43.08 1 6 -1 79 507.275 5 ↓

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 8700 0.21 Binding ≤ 10μM
Z50186-2-O Staphylococcus Epidermidis (cluster #2 Of 2), Other Other 2200 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 8700 0.21 Binding ≤ 10μM
Z50186 Z50186 Staphylococcus Epidermidis 2200 0.23 Functional ≤ 10μM

Rings

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

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