UCSF
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Analogs

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Popular Name: 7-(4-methoxyphenyl)-2-methyl-4-[2-(1-piperidyl)ethylsulfanyl]thiazolo[5,4-d]pyridazine 7-(4-methoxyphenyl)-2-methyl-4-[…

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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) 4.06 9.77 -39.3 1 5 1 52 401.581 6 ↓
Hi High (pH 8-9.5) 4.06 7.54 -10.69 0 5 0 51 400.573 6 ↓

Analogs

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Popular Name: 7-(3-methoxyphenyl)-2-methyl-4-[2-(1-piperidyl)ethylsulfanyl]thiazolo[5,4-d]pyridazine 7-(3-methoxyphenyl)-2-methyl-4-[…

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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) 4.04 9.77 -40.18 1 5 1 52 401.581 6 ↓
Hi High (pH 8-9.5) 4.04 7.54 -12.97 0 5 0 51 400.573 6 ↓

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-2-methyl-4-[2-(1-piperidyl)ethylsulfanyl]thiazolo[5,4-d]pyridazine 7-(3,4-dimethoxyphenyl)-2-methyl…

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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) 3.65 9.68 -41.96 1 6 1 62 431.607 7 ↓
Hi High (pH 8-9.5) 3.65 7.45 -12.98 0 6 0 60 430.599 7 ↓

Analogs

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Popular Name: 2-methyl-4-[2-(1-piperidyl)ethylsulfanyl]-7-(p-tolyl)thiazolo[4,5-d]pyridazine 2-methyl-4-[2-(1-piperidyl)ethyl…

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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) 4.46 11.15 -38.52 1 4 1 43 385.582 5 ↓
Hi High (pH 8-9.5) 4.46 8.93 -10.62 0 4 0 42 384.574 5 ↓

Parameters Provided:

ring.id = 229004
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 = 229004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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