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Analogs

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Popular Name: N-[5-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]-2-methyl-phenyl]-2-methyl-propanamide N-[5-[(1,1-dioxo-1,2-benzothiazo…

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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) 3.29 3.8 -25.28 1 6 0 85 358.419 4 ↓

Analogs

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Popular Name: N-[5-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]-2-methyl-phenyl]-2-methoxy-acetamide N-[5-[(1,1-dioxo-1,2-benzothiazo…

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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) 2.15 2.39 -29.16 1 7 0 94 360.391 5 ↓

Analogs

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Popular Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]-2,5-dimethyl-aniline 4-[(1,1-dioxo-1,2-benzothiazol-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) 2.85 1.9 -16.76 2 5 0 82 302.355 2 ↓

Analogs

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Popular Name: 4-chloro-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]aniline 4-chloro-3-[(1,1-dioxo-1,2-benzo…

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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) 2.29 0.97 -17.12 2 5 0 82 308.746 2 ↓

Analogs

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Popular Name: 3-amino-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]benzonitrile 3-amino-4-[(1,1-dioxo-1,2-benzot…

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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) 1.78 0.94 -17.7 2 6 0 106 299.311 2 ↓

Analogs

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Popular Name: 5-amino-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]benzonitrile 5-amino-2-[(1,1-dioxo-1,2-benzot…

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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) 1.37 0.82 -19.56 2 6 0 106 299.311 2 ↓

Analogs

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Popular Name: 3-(3-iodophenoxy)-1,2-benzothiazole 3-(3-iodophenoxy)-1,2-benzothiazole

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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) 3.67 3.71 -15.89 0 4 0 56 385.182 2 ↓

Analogs

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Popular Name: 3-(4-iodophenoxy)-1,2-benzothiazole 3-(4-iodophenoxy)-1,2-benzothiazole

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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) 3.69 3.71 -14.66 0 4 0 56 385.182 2 ↓

Parameters Provided:

ring.id = 81985
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 = 81985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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