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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3S)-N5-ethyl-N5-(m-tolyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (3S)-N5-ethyl-N5-(m-tolyl)-2-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) 3.21 7.07 -13.58 2 6 0 79 350.422 5 ↓

Analogs

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Popular Name: (3R)-N5-ethyl-N5-(m-tolyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (3R)-N5-ethyl-N5-(m-tolyl)-2-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) 3.21 7.07 -14.3 2 6 0 79 350.422 5 ↓

Analogs

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Popular Name: (3S)-3-acetyl-N-(3-cyanophenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (3S)-3-acetyl-N-(3-cyanophenyl)-…

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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) 2.15 8.07 -14.16 1 6 0 86 332.363 4 ↓
Hi High (pH 8-9.5) 2.34 6.17 -48.54 0 6 -1 92 331.355 4 ↓

Analogs

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Popular Name: (3R)-3-acetyl-N-(3-cyanophenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (3R)-3-acetyl-N-(3-cyanophenyl)-…

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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) 2.15 8.08 -13.97 1 6 0 86 332.363 4 ↓
Hi High (pH 8-9.5) 2.34 6.18 -48.89 0 6 -1 92 331.355 4 ↓

Analogs

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Popular Name: (3S)-N5-(2-chloro-4-methoxy-phenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (3S)-N5-(2-chloro-4-methoxy-phen…

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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) 2.83 3.63 -14.05 3 7 0 97 372.812 5 ↓
Hi High (pH 8-9.5) 3.01 1.86 -52.41 2 7 -1 103 371.804 5 ↓

Analogs

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Popular Name: (3R)-N5-(2-chloro-4-methoxy-phenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (3R)-N5-(2-chloro-4-methoxy-phen…

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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) 2.83 3.63 -13.8 3 7 0 97 372.812 5 ↓
Hi High (pH 8-9.5) 3.01 1.86 -52.39 2 7 -1 103 371.804 5 ↓

Parameters Provided:

ring.id = 179036
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 = 179036 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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