UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-benzo[1,3]dioxol-5-yl-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine 3-benzo[1,3]dioxol-5-yl-6-[[4-(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) 5.40 2.38 -12.52 0 4 0 44 390.386 5 ↓

Analogs

36716444
36716444
36716445
36716445

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Popular Name: 3-benzo[1,3]dioxol-5-yl-6-[(2-chlorophenyl)methylsulfanyl]pyridazine 3-benzo[1,3]dioxol-5-yl-6-[(2-ch…

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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) 5.13 0.06 -13.34 0 4 0 44 356.834 4 ↓

Analogs

36716446
36716446

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Popular Name: 3-benzo[1,3]dioxol-5-yl-6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazine 3-benzo[1,3]dioxol-5-yl-6-[(2,5-…

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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) 5.33 0.83 -12.34 0 4 0 44 350.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzo[1,3]dioxol-5-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine 3-benzo[1,3]dioxol-5-yl-6-[[3-(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) 5.37 2.4 -13.05 0 4 0 44 390.386 5 ↓

Parameters Provided:

ring.id = 9031
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 = 9031 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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