UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (NZ)-2-(1,3-dioxoisoindolin-2-yl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide (NZ)-2-(1,3-dioxoisoindolin-2-yl…

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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) 4.27 0.33 -19.23 0 7 0 83 395.44 4 ↓

Analogs

6413419
6413419
9078604
9078604

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Popular Name: (NZ)-2-(1,3-dioxoisoindolin-2-yl)-N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]acetamide (NZ)-2-(1,3-dioxoisoindolin-2-yl…

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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 9.32 -18 0 7 0 83 427.457 6 ↓

Analogs

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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) 3.86 0.72 -20.7 0 8 0 100 427.413 5 ↓

Analogs

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Popular Name: (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindolin-2-yl)acetamide (NZ)-N-(4-chloro-3-methyl-1,3-be…

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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 -0.94 -17.8 0 6 0 73 385.832 2 ↓

Parameters Provided:

ring.id = 81601
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 = 81601 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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