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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-5-methyl-3-[(3R)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]tetrahydrof (3S,5R)-5-methyl-3-[(3R)-3-methy…

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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) -0.35 7.64 -19.17 0 8 0 76 316.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-5-methyl-3-[(3R)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]tetrahydrof (3S,5S)-5-methyl-3-[(3R)-3-methy…

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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) -0.35 7.54 -19.52 0 8 0 76 316.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-5-methyl-3-[(3R)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]tetrahydrof (3R,5R)-5-methyl-3-[(3R)-3-methy…

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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) -0.35 7.57 -16.46 0 8 0 76 316.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-5-methyl-3-[(3R)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]tetrahydrof (3R,5S)-5-methyl-3-[(3R)-3-methy…

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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) -0.35 7.81 -19.2 0 8 0 76 316.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-5-methyl-3-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]tetrahydrofuran-2-one (3S,5R)-5-methyl-3-[4-([1,2,4]tr…

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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) -0.68 6.97 -16.28 0 8 0 76 302.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-5-methyl-3-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]tetrahydrofuran-2-one (3S,5S)-5-methyl-3-[4-([1,2,4]tr…

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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) -0.68 6.88 -16.46 0 8 0 76 302.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-5-methyl-3-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]tetrahydrofuran-2-one (3R,5R)-5-methyl-3-[4-([1,2,4]tr…

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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) -0.68 6.76 -19.37 0 8 0 76 302.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-5-methyl-3-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]tetrahydrofuran-2-one (3R,5S)-5-methyl-3-[4-([1,2,4]tr…

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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) -0.68 6.86 -19.68 0 8 0 76 302.338 2 ↓

Parameters Provided:

ring.id = 338389
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 = 338389 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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