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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4272448
4272448
4358550
4358550

Draw Identity 99% 90% 80% 70%

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

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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) 1.45 7.92 -21.52 2 8 0 97 373.42 7 ↓
Lo Low (pH 4.5-6) 1.45 8.38 -57.02 3 8 1 98 374.428 7 ↓

Analogs

4358572
4358572

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[6-(4-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 3-fluoro-N-[2-[6-(4-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) 1.59 7.99 -19.73 2 8 0 97 391.41 7 ↓
Lo Low (pH 4.5-6) 1.59 8.45 -55.32 3 8 1 98 392.418 7 ↓

Analogs

20516278
20516278
4358572
4358572

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-(4-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 4-fluoro-N-[2-[6-(4-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) 1.61 7.99 -20.87 2 8 0 97 391.41 7 ↓
Lo Low (pH 4.5-6) 1.61 8.45 -56.94 3 8 1 98 392.418 7 ↓

Analogs

4358550
4358550

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-(4-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 3-chloro-N-[2-[6-(4-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) 2.10 8.45 -19.5 2 8 0 97 407.865 7 ↓
Lo Low (pH 4.5-6) 2.10 8.9 -54.99 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-(4-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 3-methyl-N-[2-[6-(4-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) 1.87 8.59 -21.56 2 8 0 97 387.447 7 ↓
Lo Low (pH 4.5-6) 1.87 9.05 -57.09 3 8 1 98 388.455 7 ↓

Analogs

20516276
20516276
20516280
20516280
4272449
4272449

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[6-(4-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 2-fluoro-N-[2-[6-(4-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) 1.56 8 -25.55 2 8 0 97 391.41 7 ↓
Lo Low (pH 4.5-6) 1.56 8.46 -60.99 3 8 1 98 392.418 7 ↓

Analogs

4272448
4272448
4358550
4358550

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[6-(4-pyridylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 4-methyl-N-[2-[6-(4-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) 1.90 8.6 -21.38 2 8 0 97 387.447 7 ↓
Lo Low (pH 4.5-6) 1.90 9.06 -56.87 3 8 1 98 388.455 7 ↓

Parameters Provided:

ring.id = 100769
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 = 100769 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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