UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N'-[1-methyl-2,2-dioxo-2,3-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-4(1H)-yliden]-3-(trifluoromethyl)benzenecarbohydrazide N'-[1-methyl-2,2-dioxo-2,3-dihyd…

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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) 2.67 4.52 -22.64 1 6 0 79 403.407 3 ↓

Analogs

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Popular Name: 4-fluoro-N'-[1-methyl-2,2-dioxo-2,3-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-4(1H)-yliden]benzenecarbohydrazide 4-fluoro-N'-[1-methyl-2,2-dioxo-…

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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) 1.97 -4.24 -19.84 1 6 0 78 353.4 2 ↓

Analogs

15987514
15987514

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Popular Name: 2,6-difluoro-N'-[1-methyl-2,2-dioxo-2,3-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-4(1H)-yliden]benzenecarbohydrazide 2,6-difluoro-N'-[1-methyl-2,2-di…

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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) 2.03 3.51 -24.01 1 6 0 79 371.39 2 ↓

Analogs

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Popular Name: 4-chloro-N'-[1-methyl-2,2-dioxo-2,3-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-4(1H)-yliden]benzenecarbohydrazide 4-chloro-N'-[1-methyl-2,2-dioxo-…

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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) 2.48 -5.12 -19.5 1 6 0 78 369.855 2 ↓

Analogs

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Popular Name: N'-[1-methyl-2,2-dioxo-2,3-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-4(1H)-yliden]butanohydrazide N'-[1-methyl-2,2-dioxo-2,3-dihyd…

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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) 1.53 2.03 -20.08 1 6 0 79 301.393 3 ↓

Analogs

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Popular Name: N-[(Z)-(2,2-diketo-1-methyl-thieno[3,2-c]thiazin-4-ylidene)amino]butyramide N-[(Z)-(2,2-diketo-1-methyl-thie…

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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) 1.53 1.93 -19.53 1 6 0 79 301.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[1-methyl-2,2-dioxo-2,3-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-4(1H)-yliden]-2-(2-thienyl)acetohydrazide N'-[1-methyl-2,2-dioxo-2,3-dihyd…

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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) 1.79 -6.08 -22.13 1 6 0 78 355.466 3 ↓

Analogs

15987513
15987513

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Popular Name: 3-methyl-N'-[1-methyl-2,2-dioxo-2,3-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-4(1H)-yliden]benzenecarbohydrazide 3-methyl-N'-[1-methyl-2,2-dioxo-…

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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) 2.23 4.18 -20.94 1 6 0 79 349.437 2 ↓

Parameters Provided:

ring.id = 229044
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 = 229044 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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