UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36631077
36631077
36688270
36688270
39716974
39716974
39717047
39717047
39723137
39723137

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Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)tetralin-6-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) 5.95 0.62 -12.08 0 4 0 44 366.486 3 ↓

Analogs

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Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)tetralin-6-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) 6.33 12.51 -11.76 0 4 0 44 380.513 4 ↓

Analogs

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Popular Name: (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)tetralin-6-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) 6.19 -0.65 -10.61 0 3 0 34 356.878 1 ↓

Parameters Provided:

ring.id = 81610
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 = 81610 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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