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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-bis(4-chlorophenyl)-4-(3,4-dichlorobenzoyl)-5-hydroxy-pyrazol-3-one 1,2-bis(4-chlorophenyl)-4-(3,4-d…

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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) 6.38 12.44 -38.14 0 5 -1 67 493.153 4 ↓

Analogs

40822858
40822858

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-bis(4-chlorophenyl)-5-hydroxy-4-(4-methoxybenzoyl)pyrazol-3-one 1,2-bis(4-chlorophenyl)-5-hydrox…

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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 10000 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MURB_ECOLI P08373 UDP-N-acetylmuramate Dehydrogenase, Ecoli 10000 0.23 Binding ≤ 10μM

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) 5.15 10.82 -45.2 0 6 -1 76 454.289 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-butoxybenzoyl)-1,2-bis(4-chlorophenyl)-5-hydroxy-pyrazol-3-one 4-(4-butoxybenzoyl)-1,2-bis(4-ch…

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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 4500 0.22 Binding ≤ 10μM
Z50186-2-O Staphylococcus Epidermidis (cluster #2 Of 2), Other Other 7300 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MURB_ECOLI P08373 UDP-N-acetylmuramate Dehydrogenase, Ecoli 4500 0.22 Binding ≤ 10μM
Z50186 Z50186 Staphylococcus Epidermidis 7300 0.21 Functional ≤ 10μM

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) 6.59 13.33 -44.48 0 6 -1 76 496.37 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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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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

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 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5900 0.22 Binding ≤ 10μM
Z50186-2-O Staphylococcus Epidermidis (cluster #2 Of 2), Other Other 8300 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MURB_ECOLI P08373 UDP-N-acetylmuramate Dehydrogenase, Ecoli 5900 0.22 Binding ≤ 10μM
Z50186 Z50186 Staphylococcus Epidermidis 8300 0.22 Functional ≤ 10μM

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) 5.99 12.5 -39.62 0 5 -1 67 492.26 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-chlorobenzoyl)-1,2-bis(4-chlorophenyl)-5-hydroxy-pyrazol-3-one 4-(4-chlorobenzoyl)-1,2-bis(4-ch…

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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) 5.77 12.03 -40.95 0 5 -1 67 458.708 4 ↓

Parameters Provided:

ring.id = 14988
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 14988 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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