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Analogs

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Popular Name: 3-bromo-2-(4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydroindazole 3-bromo-2-(4-chloro-2-fluoro-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) 4.75 9.13 -6.56 0 2 0 18 329.6 1 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile 2-(4-chlorophenyl)-4,5,6,7-tetra…

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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) 3.51 8.65 -4.91 0 3 0 42 257.724 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-fluoro-phenyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile 2-(4-bromo-2-fluoro-phenyl)-4,5,…

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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) 3.94 8.97 -5.92 0 3 0 42 320.165 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile 2-(4-chloro-2-fluoro-phenyl)-4,5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.81 8.87 -5.95 0 3 0 42 275.714 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazole 3-bromo-2-(4-chlorophenyl)-4,5,6…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.45 8.94 -4.71 0 2 0 18 311.61 1 ↓

Parameters Provided:

ring.id = 196030
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 = 196030 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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