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

Analogs

38574997
38574997
38574999
38574999

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Popular Name: 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]s 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) 3.45 9.8 -15.37 0 8 0 82 427.53 6 ↓

Analogs

38574999
38574999
38574995
38574995

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]s 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) 3.45 9.94 -15.46 0 8 0 82 427.53 6 ↓

Analogs

38574995
38574995
38574997
38574997

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]s 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) 3.45 9.94 -15.16 0 8 0 82 427.53 6 ↓

Analogs

38575069
38575069
38575070
38575070

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Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-1-[(2S,6R)-2,6-dimethylmo 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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) 2.66 8.76 -18.86 0 9 0 91 443.529 6 ↓

Analogs

38575070
38575070
38575067
38575067

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-1-[(2S,6S)-2,6-dimethylmo 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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) 2.66 8.94 -18.64 0 9 0 91 443.529 6 ↓

Analogs

38575067
38575067
38575069
38575069

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-1-[(2R,6R)-2,6-dimethylmo 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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) 2.66 8.93 -18.8 0 9 0 91 443.529 6 ↓

Analogs

38575136
38575136
38575138
38575138

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]s 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) 3.18 9.61 -14.85 0 7 0 73 401.467 4 ↓

Analogs

38575138
38575138
38575134
38575134

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]s 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) 3.18 9.79 -14.57 0 7 0 73 401.467 4 ↓

Analogs

38575134
38575134
38575136
38575136

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]s 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) 3.18 9.78 -14.88 0 7 0 73 401.467 4 ↓

Parameters Provided:

ring.id = 591735
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 = 591735 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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