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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: 6-[(2R)-2-methyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazi 6-[(2R)-2-methyl-4-[[(2S)-tetrah…

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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) 1.58 10.18 -53.02 1 7 1 60 317.417 3 ↓
Mid Mid (pH 6-8) 1.58 7.96 -11.7 0 7 0 59 316.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S)-2-methyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazi 6-[(2S)-2-methyl-4-[[(2S)-tetrah…

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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) 1.58 10.1 -53.4 1 7 1 60 317.417 3 ↓
Mid Mid (pH 6-8) 1.58 7.8 -11.92 0 7 0 59 316.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[[(2S)-tetrahydropyran-2-yl…

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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) 1.25 9.29 -52.81 1 7 1 60 303.39 3 ↓
Mid Mid (pH 6-8) 1.25 7.06 -12.23 0 7 0 59 302.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[[(2R)-tetrahydropyran-2-yl…

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) 1.25 9.31 -52.65 1 7 1 60 303.39 3 ↓
Mid Mid (pH 6-8) 1.25 7.01 -12.24 0 7 0 59 302.382 3 ↓

Parameters Provided:

ring.id = 432116
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 = 432116 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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