UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2795650
2795650
2796264
2796264

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Popular Name: 1-ethyl-4-(o-toluoylamino)-N-phenyl-pyrazole-3-carboxamide 1-ethyl-4-(o-toluoylamino)-N-phe…

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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) 3.11 -0.08 -10.04 2 6 0 76 348.406 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[(3-nitrobenzoyl)amino]-N-phenyl-pyrazole-3-carboxamide 1-ethyl-4-[(3-nitrobenzoyl)amino…

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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) 2.65 0.2 -13.77 2 9 0 121 379.376 6 ↓

Analogs

2796248
2796248

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Popular Name: 1-ethyl-N-phenyl-4-(p-toluoylamino)pyrazole-3-carboxamide 1-ethyl-N-phenyl-4-(p-toluoylami…

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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) 3.16 -0.01 -10.45 2 6 0 76 348.406 5 ↓

Analogs

2796864
2796864
2799009
2799009
2799050
2799050
2799886
2799886
2800397
2800397

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Popular Name: 4-[[4-(difluoromethoxy)-3-ethoxy-benzoyl]amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide 4-[[4-(difluoromethoxy)-3-ethoxy…

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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) 3.29 7.71 -13.79 2 8 0 94 444.438 9 ↓

Analogs

2796439
2796439

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Popular Name: 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide 4-[(2,4-dichlorobenzoyl)amino]-1…

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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) 4.00 -0.58 -9.09 2 6 0 76 403.269 5 ↓

Analogs

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Popular Name: 1-ethyl-N-phenyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-3-carboxamide 1-ethyl-N-phenyl-4-[[4-(2,2,2-tr…

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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) 3.59 8.48 -13.84 2 7 0 85 446.429 9 ↓

Analogs

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Popular Name: 1-ethyl-4-(m-toluoylamino)-N-phenyl-pyrazole-3-carboxamide 1-ethyl-4-(m-toluoylamino)-N-phe…

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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) 3.14 0.01 -10.42 2 6 0 76 348.406 5 ↓

Parameters Provided:

ring.id = 239851
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 = 239851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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