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

4358572
4358572

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[6-(2-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 3-fluoro-N-[2-[6-(2-pyridylmethy…

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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) 1.71 7.92 -23.42 2 8 0 97 391.41 7 ↓
Lo Low (pH 4.5-6) 1.71 8.32 -57.65 3 8 1 98 392.418 7 ↓

Analogs

20516278
20516278
4358572
4358572

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Popular Name: 4-fluoro-N-[2-[6-(2-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 4-fluoro-N-[2-[6-(2-pyridylmethy…

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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) 1.73 7.92 -20.92 2 8 0 97 391.41 7 ↓
Lo Low (pH 4.5-6) 1.73 8.33 -55.31 3 8 1 98 392.418 7 ↓

Analogs

4358550
4358550

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-(2-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 3-chloro-N-[2-[6-(2-pyridylmethy…

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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) 2.22 8.36 -22.6 2 8 0 97 407.865 7 ↓
Lo Low (pH 4.5-6) 2.22 8.77 -56.72 3 8 1 98 408.873 7 ↓

Analogs

4272448
4272448
4358550
4358550

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[2-[6-(2-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 3-methyl-N-[2-[6-(2-pyridylmethy…

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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) 1.99 8.52 -20.75 2 8 0 97 387.447 7 ↓
Lo Low (pH 4.5-6) 1.99 8.92 -54.62 3 8 1 98 388.455 7 ↓

Analogs

20516280
20516280
20516276
20516276
4272449
4272449

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[6-(2-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 2-fluoro-N-[2-[6-(2-pyridylmethy…

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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) 1.68 7.93 -24.61 2 8 0 97 391.41 7 ↓
Lo Low (pH 4.5-6) 1.68 8.33 -58.44 3 8 1 98 392.418 7 ↓

Analogs

4272448
4272448
4358582
4358582
4358550
4358550

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[6-(2-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 4-methyl-N-[2-[6-(2-pyridylmethy…

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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) 2.02 8.53 -20.53 2 8 0 97 387.447 7 ↓
Lo Low (pH 4.5-6) 2.02 8.93 -54.41 3 8 1 98 388.455 7 ↓

Parameters Provided:

ring.id = 100740
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 = 100740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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