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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: (5R)-5-[(3,4-dimethoxyphenyl)methylamino]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-[(3,4-dimethoxyphenyl)met…

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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) 2.05 6.9 -67.38 1 7 -1 88 358.418 7 ↓
Mid Mid (pH 6-8) 2.05 8.08 -81.66 2 7 0 93 359.426 7 ↓

Analogs

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Popular Name: (5S)-5-[(3,4-dimethoxyphenyl)methylamino]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-[(3,4-dimethoxyphenyl)met…

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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) 2.05 6.88 -62.94 1 7 -1 88 358.418 7 ↓
Mid Mid (pH 6-8) 2.05 8.06 -80.71 2 7 0 93 359.426 7 ↓

Analogs

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Popular Name: (5R)-1-ethyl-5-[(4-sulfamoylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-ethyl-5-[(4-sulfamoylphen…

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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) 1.10 2.67 -70.3 3 8 -1 130 377.446 6 ↓
Lo Low (pH 4.5-6) 1.10 3.85 -89.68 4 8 0 135 378.454 6 ↓

Analogs

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Popular Name: (5S)-1-ethyl-5-[(4-sulfamoylphenyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-ethyl-5-[(4-sulfamoylphen…

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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) 1.10 2.65 -66.74 3 8 -1 130 377.446 6 ↓
Lo Low (pH 4.5-6) 1.10 3.83 -89.6 4 8 0 135 378.454 6 ↓

Analogs

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Popular Name: (5R)-5-[(2,6-difluoro-3-methyl-phenyl)methylamino]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-[(2,6-difluoro-3-methyl-p…

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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) 3.03 8.4 -68.22 1 5 -1 70 348.373 5 ↓
Lo Low (pH 4.5-6) 3.03 9.59 -73.13 2 5 0 75 349.381 5 ↓

Analogs

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Popular Name: (5S)-5-[(2,6-difluoro-3-methyl-phenyl)methylamino]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-[(2,6-difluoro-3-methyl-p…

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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) 3.03 8.38 -64.58 1 5 -1 70 348.373 5 ↓
Lo Low (pH 4.5-6) 3.03 9.56 -72.68 2 5 0 75 349.381 5 ↓

Analogs

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Popular Name: (5R)-1-isobutyl-5-(p-tolylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-isobutyl-5-(p-tolylmethyl…

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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) 3.60 9.91 -61.42 1 5 -1 70 340.447 6 ↓
Mid Mid (pH 6-8) 3.60 11.09 -75.47 2 5 0 75 341.455 6 ↓

Analogs

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Popular Name: (5S)-1-isobutyl-5-(p-tolylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-isobutyl-5-(p-tolylmethyl…

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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) 3.60 9.92 -64.97 1 5 -1 70 340.447 6 ↓
Mid Mid (pH 6-8) 3.60 11.1 -75.59 2 5 0 75 341.455 6 ↓

Analogs

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Popular Name: (5R)-5-[(5-fluoro-2-methyl-phenyl)methylamino]-1-isobutyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-[(5-fluoro-2-methyl-pheny…

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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) 3.69 9.93 -59.09 1 5 -1 70 358.437 6 ↓
Lo Low (pH 4.5-6) 3.69 10.61 -75.83 2 5 0 75 359.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-[(5-fluoro-2-methyl-phenyl)methylamino]-1-isobutyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-[(5-fluoro-2-methyl-pheny…

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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) 3.69 9.93 -67.48 1 5 -1 70 358.437 6 ↓
Lo Low (pH 4.5-6) 3.69 10.57 -79.49 2 5 0 75 359.445 6 ↓

Parameters Provided:

ring.id = 530085
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 = 530085 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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