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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: [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-(3-ethynylphenyl)methanone [3-(3,4-difluorophenyl)-1,4,6,7-…

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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) 2.56 9.52 -13.02 1 4 0 49 363.367 2 ↓

Analogs

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Popular Name: (3-ethynylphenyl)-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone (3-ethynylphenyl)-[3-(3-fluoroph…

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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) 2.44 9.51 -13.3 1 4 0 49 345.377 2 ↓

Analogs

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Popular Name: [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-hydroxy-4-methoxy-phenyl)m [3-(3,4-difluorophenyl)-1,4,6,7-…

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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) 3.34 5.35 -14.89 2 6 0 78 385.37 3 ↓
Hi High (pH 8-9.5) 3.34 6.27 -57.43 1 6 -1 81 384.362 3 ↓

Analogs

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Popular Name: [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-hydroxyphenyl)methanone [3-(2-fluorophenyl)-1,4,6,7-tetr…

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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) 3.17 6.05 -17.24 2 5 0 69 337.354 2 ↓

Analogs

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Popular Name: [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-hydroxy-4-methyl-phenyl)methan [3-(4-chlorophenyl)-1,4,6,7-tetr…

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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) 4.16 7.09 -11.88 2 5 0 69 367.836 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-hydroxy-5-methyl-phenyl)methan [3-(3-fluorophenyl)-1,4,6,7-tetr…

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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) 3.62 6.63 -15.46 2 5 0 69 351.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-hydroxy-3-methyl-phenyl)me [3-(3,4-difluorophenyl)-1,4,6,7-…

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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) 3.50 6.79 -15.54 2 5 0 69 369.371 2 ↓

Parameters Provided:

ring.id = 52882
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 = 52882 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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