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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12312996
12312996
9279190
9279190
9279191
9279191

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Popular Name: (NZ)-4-(cyclohexyl-methyl-sulfamoyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide (NZ)-4-(cyclohexyl-methyl-sulfam…

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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) 6.76 11.71 -16.11 0 6 0 72 493.654 4 ↓

Analogs

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Popular Name: (NZ)-2-(5-chloro-2-thienyl)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (NZ)-2-(5-chloro-2-thienyl)-N-(3…

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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) 6.71 12.13 -11.88 0 3 0 34 386.929 3 ↓

Analogs

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Popular Name: (NZ,2S)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(3-methylbenzo[g][1,3]…

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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) 4.13 7.58 -16.52 0 6 0 72 403.529 2 ↓

Analogs

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Popular Name: (NZ,2R)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(3-methylbenzo[g][1,3]…

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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) 4.13 7.57 -16.44 0 6 0 72 403.529 2 ↓

Analogs

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Popular Name: (NZ,2S)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2S)-N-(3-ethylbenzo[g][1,3]b…

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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) 4.50 8.45 -16.22 0 6 0 72 417.556 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-1-methylsulfonyl-piperidine-2-carboxamide (NZ,2R)-N-(3-ethylbenzo[g][1,3]b…

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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) 4.50 8.47 -16.24 0 6 0 72 417.556 3 ↓

Parameters Provided:

ring.id = 81576
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 = 81576 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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