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Analogs

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Popular Name: 2-[1-[2-(4-chlorophenoxy)ethoxyamino]propylidene]-5-[(1S,6S)-4,7-dioxabicyclo[4.1.0]heptan-1-yl]cycl 2-[1-[2-(4-chlorophenoxy)ethoxya…

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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) 2.98 7.68 -14.16 1 7 0 86 435.904 8 ↓

Analogs

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Popular Name: 2-[1-[2-(4-chlorophenoxy)ethoxyamino]propylidene]-5-[(1R,6R)-4,7-dioxabicyclo[4.1.0]heptan-1-yl]cycl 2-[1-[2-(4-chlorophenoxy)ethoxya…

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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) 2.98 7.82 -11.64 1 7 0 86 435.904 8 ↓

Analogs

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Popular Name: 2-[1-[[(2R)-2-(4-chlorophenoxy)propoxy]amino]propylidene]-5-[(1S,6S)-4,7-dioxabicyclo[4.1.0]heptan-1 2-[1-[[(2R)-2-(4-chlorophenoxy)p…

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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) 3.34 8.31 -13.74 1 7 0 86 449.931 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[[(2R)-2-(4-chlorophenoxy)propoxy]amino]propylidene]-5-[(1R,6R)-4,7-dioxabicyclo[4.1.0]heptan-1 2-[1-[[(2R)-2-(4-chlorophenoxy)p…

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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) 3.34 8.29 -12.83 1 7 0 86 449.931 8 ↓

Analogs

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Popular Name: 2-[1-[[(2R)-2-(2,4-difluorophenoxy)propoxy]amino]propylidene]-5-[(1S,6S)-4,7-dioxabicyclo[4.1.0]hept 2-[1-[[(2R)-2-(2,4-difluoropheno…

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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) 2.92 8.11 -13.01 1 7 0 86 451.466 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[[(2R)-2-(2,4-difluorophenoxy)propoxy]amino]propylidene]-5-[(1R,6R)-4,7-dioxabicyclo[4.1.0]hept 2-[1-[[(2R)-2-(2,4-difluoropheno…

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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) 2.92 8.08 -13.92 1 7 0 86 451.466 8 ↓

Parameters Provided:

ring.id = 197914
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 = 197914 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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