UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36630946
36630946
36631752
36631752
39716927
39716927
39717040
39717040
39717070
39717070

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Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-oxo-chromene-3-carboxamide (NZ)-N-(3-ethyl-4-methoxy-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) 4.77 2.18 -24.18 0 6 0 74 380.425 3 ↓

Analogs

2715362
2715362

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Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-oxo-chromene-3-carboxamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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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) 5.15 2.2 -23.71 0 6 0 74 394.452 4 ↓

Analogs

36630940
36630940
36630951
36630951
36631725
36631725
39721210
39721210
39721211
39721211

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Popular Name: (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-chromene-3-carboxamide (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) 5.01 0.91 -22.09 0 5 0 65 370.817 1 ↓

Parameters Provided:

ring.id = 81598
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 = 81598 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=81598&filter.purchasability=annotated

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