UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4326594
4326594

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Popular Name: N-(2,5-dimethylphenyl)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(2,5-dimethylphenyl)-2-[[3-(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) 4.51 10.69 -16.97 1 6 0 72 395.513 5 ↓

Analogs

4326601
4326601

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Popular Name: 2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide 2-[[3-(2-thienyl)-[1,2,4]triazol…

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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) 3.95 11.46 -16.47 1 6 0 72 409.54 5 ↓

Analogs

4326586
4326586

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Popular Name: N-(4-ethylphenyl)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(4-ethylphenyl)-2-[[3-(2-thien…

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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) 4.59 10.61 -16.78 1 6 0 72 395.513 6 ↓

Analogs

4326586
4326586

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Popular Name: N-(4-butylphenyl)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(4-butylphenyl)-2-[[3-(2-thien…

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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) 5.54 12.17 -16.67 1 6 0 72 423.567 8 ↓

Analogs

4326650
4326650

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3,4-dimethoxyphenyl)-2-[[3-(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) 3.33 8.38 -20.15 1 8 0 91 427.511 7 ↓

Analogs

9599786
9599786
4326582
4326582
4326605
4326605

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Popular Name: 2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetam 2-[[3-(2-thienyl)-[1,2,4]triazol…

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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) 4.55 10.19 -19.46 1 6 0 72 435.456 6 ↓

Analogs

9599786
9599786

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfan N-[2-chloro-5-(trifluoromethyl)p…

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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) 5.18 10.79 -16.39 1 6 0 72 469.901 6 ↓

Analogs

9599790
9599790

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Popular Name: ethyl 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) 4.36 11.09 -16.56 1 8 0 98 439.522 8 ↓

Analogs

9599790
9599790
4326671
4326671

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Popular Name: methyl 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) 3.85 9.82 -20.13 1 8 0 98 425.495 7 ↓

Analogs

4326573
4326573

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Popular Name: N-(3-acetamidophenyl)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3-acetamidophenyl)-2-[[3-(2-t…

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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) 2.88 8.07 -21.82 2 8 0 101 424.511 6 ↓

Analogs

4326573
4326573

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Popular Name: N-(4-acetamidophenyl)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(4-acetamidophenyl)-2-[[3-(2-t…

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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) 2.90 8.08 -24.91 2 8 0 101 424.511 6 ↓

Parameters Provided:

ring.id = 99665
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 = 99665 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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