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Analogs

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Popular Name: 4-chloro-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl 4-chloro-N-methyl-N-[(5-methyl-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) 3.33 0.71 -30.16 1 9 0 116 430.848 4 ↓

Analogs

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Popular Name: 4-chloro-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl 4-chloro-N-methyl-N-[(5-methyl-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) 3.33 0.72 -29.14 1 9 0 116 430.848 4 ↓

Analogs

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Popular Name: 4-bromo-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl] 4-bromo-N-methyl-N-[(5-methyl-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) 3.58 -0.39 -22.49 1 6 0 70 430.302 3 ↓

Analogs

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Popular Name: 4-bromo-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl] 4-bromo-N-methyl-N-[(5-methyl-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) 3.58 -0.4 -17.79 1 6 0 70 430.302 3 ↓

Analogs

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Popular Name: 3-(difluoromethoxy)-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)car 3-(difluoromethoxy)-N-methyl-N-[…

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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) 3.36 1.37 -26.88 1 7 0 79 417.412 5 ↓

Analogs

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Popular Name: 3-(difluoromethoxy)-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)car 3-(difluoromethoxy)-N-methyl-N-[…

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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) 3.36 1.38 -21.93 1 7 0 79 417.412 5 ↓

Analogs

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Popular Name: 3-methoxy-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethy 3-methoxy-N-methyl-N-[(5-methyl-…

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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) 2.80 0.38 -27.52 1 7 0 79 381.432 4 ↓

Analogs

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Popular Name: 3-methoxy-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethy 3-methoxy-N-methyl-N-[(5-methyl-…

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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) 2.80 0.39 -22.1 1 7 0 79 381.432 4 ↓

Analogs

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Popular Name: 4-cyano-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl] 4-cyano-N-methyl-N-[(5-methyl-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) 2.52 1.76 -19.39 1 7 0 94 376.416 3 ↓

Analogs

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Popular Name: 4-cyano-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl] 4-cyano-N-methyl-N-[(5-methyl-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) 2.52 1.73 -20.28 1 7 0 94 376.416 3 ↓

Analogs

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Popular Name: 3-fluoro-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl 3-fluoro-N-methyl-N-[(5-methyl-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) 2.91 1.11 -21.2 1 6 0 70 369.396 3 ↓

Analogs

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Popular Name: 3-fluoro-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl 3-fluoro-N-methyl-N-[(5-methyl-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) 2.91 1.11 -20.9 1 6 0 70 369.396 3 ↓

Analogs

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Popular Name: 2,4-difluoro-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylme 2,4-difluoro-N-methyl-N-[(5-meth…

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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) 3.02 1.79 -27.09 1 6 0 70 387.386 3 ↓

Analogs

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Popular Name: 2,4-difluoro-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylme 2,4-difluoro-N-methyl-N-[(5-meth…

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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) 3.02 1.79 -21.51 1 6 0 70 387.386 3 ↓

Parameters Provided:

ring.id = 10690
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 = 10690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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