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Analogs

7151353
7151353

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Popular Name: 3-[(8-phenyl-10-thia-7-azabicyclo[4.4.0]deca-2,4,11-trien-7-yl)carbonylmethoxy]benzonitrile 3-[(8-phenyl-10-thia-7-azabicycl…

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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) 4.60 2.15 -13.42 0 4 0 53 386.476 4 ↓

Analogs

7151352
7151352

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(8-phenyl-10-thia-7-azabicyclo[4.4.0]deca-2,4,11-trien-7-yl)carbonylmethoxy]benzonitrile 3-[(8-phenyl-10-thia-7-azabicycl…

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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) 4.60 2.15 -13.3 0 4 0 53 386.476 4 ↓

Analogs

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

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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) 4.78 12.03 -52.28 0 5 -1 70 404.467 5 ↓

Analogs

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

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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) 4.78 12.02 -52.27 0 5 -1 70 404.467 5 ↓

Analogs

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

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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) 4.37 11.8 -53.23 0 6 -1 79 434.493 6 ↓

Analogs

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

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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) 4.37 11.81 -53.23 0 6 -1 79 434.493 6 ↓

Analogs

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

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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) 4.70 12.17 -125.6 0 7 -2 110 447.468 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.70 12.18 -125.57 0 7 -2 110 447.468 6 ↓

Parameters Provided:

ring.id = 5160
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 = 5160 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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