UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl 1-[(2S,6S)-2,6-dimethylmorpholin…

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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) 3.05 7.4 -14.65 0 7 0 77 444.582 5 ↓

Analogs

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Popular Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl 1-[(2R,6R)-2,6-dimethylmorpholin…

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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) 3.05 7.39 -14.93 0 7 0 77 444.582 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl 1-[(2S,6R)-2,6-dimethylmorpholin…

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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) 3.05 7.25 -14.86 0 7 0 77 444.582 5 ↓

Analogs

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Popular Name: 2-[7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-1-morpholino-ethanone 2-[7-(3-methoxyphenyl)-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) 2.30 5.73 -17.05 0 7 0 77 416.528 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl 1-[(2S,6S)-2,6-dimethylmorpholin…

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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) 3.02 7.4 -16.28 0 7 0 77 444.582 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl 1-[(2R,6R)-2,6-dimethylmorpholin…

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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) 3.02 7.4 -16.51 0 7 0 77 444.582 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl 1-[(2S,6R)-2,6-dimethylmorpholin…

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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) 3.02 7.25 -16.52 0 7 0 77 444.582 5 ↓

Analogs

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Popular Name: 2-[7-(3,4-dimethoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-1-morpholino-ethanone 2-[7-(3,4-dimethoxyphenyl)-2-met…

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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) 1.91 5.64 -17.71 0 8 0 87 446.554 6 ↓

Analogs

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Popular Name: 2-[2-methyl-7-(p-tolyl)thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-1-morpholino-ethanone 2-[2-methyl-7-(p-tolyl)thiazolo[…

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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) 2.71 7.11 -15.14 0 6 0 68 400.529 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methyl-7-(p-tolyl)thiazolo[4,5-d]pyridazin-4-yl]sulfanyl 1-[(2R,6R)-2,6-dimethylmorpholin…

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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) 3.44 8.78 -14.65 0 6 0 68 428.583 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methyl-7-(p-tolyl)thiazolo[4,5-d]pyridazin-4-yl]sulfanyl 1-[(2R,6S)-2,6-dimethylmorpholin…

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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) 3.44 8.63 -14.53 0 6 0 68 428.583 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methyl-7-(p-tolyl)thiazolo[4,5-d]pyridazin-4-yl]sulfanyl 1-[(2S,6S)-2,6-dimethylmorpholin…

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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) 3.44 8.78 -14.37 0 6 0 68 428.583 4 ↓

Parameters Provided:

ring.id = 229019
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 = 229019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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