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Analogs

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Popular Name: 4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethoxy]benzoic 4-[2-(2,3-dihydro-1,4-benzothiaz…

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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) 3.20 8.89 -56.94 0 5 -1 70 328.369 4 ↓

Analogs

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Popular Name: 4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-(2,3-dihydro-1,4-benzothiaz…

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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) 2.79 8.64 -58.16 0 6 -1 79 358.395 5 ↓

Analogs

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Popular Name: 4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-(2,3-dihydro-1,4-benzothiaz…

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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) 3.12 9.01 -131.32 0 7 -2 110 371.37 5 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-(2,3-dihydro-1…

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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) 4.41 10.07 -47.16 0 5 -1 70 397.259 4 ↓

Analogs

41155160
41155160

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Popular Name: 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(4-methoxyphenoxy)ethanone 1-(2,3-dihydro-1,4-benzothiazin-…

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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) 3.35 8.54 -14.59 0 4 0 39 315.394 4 ↓

Analogs

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Popular Name: 2-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethoxy]benzonitrile 2-[2-(6-chloro-2,3-dihydro-1,4-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) 3.65 10.16 -23.64 0 4 0 53 344.823 3 ↓

Analogs

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Popular Name: 1-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethoxy]phenyl]propan-1-one 1-[4-[2-(2,3-dihydro-1,4-benzoth…

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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 10.56 -16.44 0 4 0 47 341.432 5 ↓

Parameters Provided:

ring.id = 143335
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 = 143335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=143335&filter.purchasability=annotated

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