UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8980809
8980809

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Popular Name: 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carb 3-(4-fluorophenyl)-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) 4.04 1.72 -21.85 1 6 0 69 395.434 4 ↓

Analogs

8980806
8980806

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Popular Name: 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carb 3-(4-fluorophenyl)-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) 4.04 1.72 -21.81 1 6 0 69 395.434 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 0.71 -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

1544525
1544525
602043
602043

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

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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) 3.85 0.85 -17.12 1 6 0 70 379.46 5 ↓

Analogs

1544525
1544525
602043
602043

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

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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) 3.85 0.85 -20.58 1 6 0 70 379.46 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 1.37 -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: N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl]-2,2-dip N-methyl-N-[(5-methyl-3-oxo-2,6-…

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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) 4.72 1.25 -18.66 1 6 0 70 441.531 5 ↓

Analogs

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

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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) 4.72 1.27 -22 1 6 0 70 441.531 5 ↓

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-chlorophenoxy)-N,2-dimethyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl 2-(4-chlorophenoxy)-N,2-dimethyl…

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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 0.72 -18.5 1 7 0 79 443.931 5 ↓

Analogs

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

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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 0.74 -22.71 1 7 0 79 443.931 5 ↓

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 ↓

Analogs

16421200
16421200
16421201
16421201

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

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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) 3.63 1.07 -25.8 1 7 0 79 395.459 5 ↓

Analogs

16421200
16421200
16421201
16421201

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

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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) 3.63 1.07 -20.9 1 7 0 79 395.459 5 ↓

Analogs

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

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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) 4.02 1.34 -20.45 1 7 0 79 409.486 5 ↓

Analogs

39225746
39225746

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

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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) 4.02 1.25 -20.86 1 7 0 79 409.486 5 ↓

Analogs

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

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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) 4.02 1.17 -23.74 1 7 0 79 409.486 5 ↓

Analogs

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

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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) 4.02 1.35 -19.57 1 7 0 79 409.486 5 ↓

Analogs

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Popular Name: [2-[(2S)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl]-2-oxo-ethyl] [2-[(2S)-2-methyl-4-oxo-3,5-dihy…

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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) 4.19 10.27 -19.41 1 8 0 101 442.541 7 ↓

Analogs

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Popular Name: [2-[(2R)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl]-2-oxo-ethyl] [2-[(2R)-2-methyl-4-oxo-3,5-dihy…

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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) 4.19 10.23 -19.29 1 8 0 101 442.541 7 ↓

Analogs

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Popular Name: [2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] [2-[(4R)-4-methyl-2-oxo-3,4-dihy…

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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) 5.38 10.48 -17.67 1 7 0 89 455.923 5 ↓

Analogs

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Popular Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] [2-[(4S)-4-methyl-2-oxo-3,4-dihy…

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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) 5.38 10.46 -21.05 1 7 0 89 455.923 5 ↓

Analogs

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Popular Name: (4R)-5-[2-[cyclopentyl(methyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (4R)-5-[2-[cyclopentyl(methyl)am…

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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) 3.61 8.41 -37.6 2 5 1 54 316.425 3 ↓
Hi High (pH 8-9.5) 3.61 6.21 -12.23 1 5 0 53 315.417 3 ↓

Analogs

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Popular Name: (4S)-5-[2-[cyclopentyl(methyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (4S)-5-[2-[cyclopentyl(methyl)am…

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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) 3.61 8.41 -38.43 2 5 1 54 316.425 3 ↓
Hi High (pH 8-9.5) 3.61 6.21 -12.31 1 5 0 53 315.417 3 ↓

Analogs

11983535
11983535

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

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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) 3.61 1.65 -16.87 1 8 0 94 416.865 5 ↓

Analogs

11983533
11983533

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

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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) 3.61 1.65 -16.95 1 8 0 94 416.865 5 ↓

Analogs

36151008
36151008

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Popular Name: (4R)-5-[2-(4-benzoylpiperazin-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (4R)-5-[2-(4-benzoylpiperazin-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) 2.66 7.14 -16.68 1 7 0 73 406.486 3 ↓

Analogs

36151004
36151004

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Popular Name: (4S)-5-[2-(4-benzoylpiperazin-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (4S)-5-[2-(4-benzoylpiperazin-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) 2.66 7.14 -16.89 1 7 0 73 406.486 3 ↓

Analogs

38200441
38200441

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Popular Name: (2R)-1-[2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetyl]-2-methyl-3,5-dihydro-2H-1,5-benzodia (2R)-1-[2-[4-(4,6-dimethylpyrimi…

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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) 3.39 9.06 -17.34 1 8 0 82 408.506 3 ↓
Lo Low (pH 4.5-6) 3.39 11.48 -90.98 3 8 2 84 410.522 3 ↓

Analogs

20900163
20900163
31903324
31903324
31903325
31903325

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Popular Name: (3R)-3-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one (3R)-3-methyl-1-[(E)-3-phenylpro…

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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) 3.45 8.04 -13.91 1 4 0 49 306.365 2 ↓

Analogs

31903324
31903324
31903325
31903325
20900161
20900161

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one (3S)-3-methyl-1-[(E)-3-phenylpro…

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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) 3.45 8.52 -13.54 1 4 0 49 306.365 2 ↓

Analogs

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Popular Name: (2R)-1-[2-[(5-ethylamino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(trifluoromethyl)-3,5-dihydro-2H-1 (2R)-1-[2-[(5-ethylamino-1,3,4-t…

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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) 4.06 6.08 -15.11 2 7 0 87 431.465 6 ↓

Analogs

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Popular Name: (2S)-1-[2-[(5-ethylamino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(trifluoromethyl)-3,5-dihydro-2H-1 (2S)-1-[2-[(5-ethylamino-1,3,4-t…

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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) 4.06 6.09 -15.15 2 7 0 87 431.465 6 ↓

Analogs

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Popular Name: (2R)-1-[2-(4-ethylaminoquinazolin-2-yl)sulfanylacetyl]-2-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzod (2R)-1-[2-(4-ethylaminoquinazoli…

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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) 5.82 9.44 -19.03 2 7 0 87 475.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(4-ethylaminoquinazolin-2-yl)sulfanylacetyl]-2-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzod (2S)-1-[2-(4-ethylaminoquinazoli…

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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) 5.82 9.42 -19.03 2 7 0 87 475.496 6 ↓

Analogs

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Popular Name: (2R)-1-[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]-2-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzodia (2R)-1-[2-(1-tert-butyltetrazol-…

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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) 3.87 6.65 -13.53 1 8 0 93 428.44 5 ↓

Analogs

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Popular Name: (2S)-1-[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]-2-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzodia (2S)-1-[2-(1-tert-butyltetrazol-…

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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) 3.87 6.66 -13.6 1 8 0 93 428.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]-2-(trifluoromethyl)-3, (2S)-1-[2-[1-[[(2S)-tetrahydrofu…

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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) 3.06 6.17 -14.87 1 9 0 102 456.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]-2-(trifluoromethyl)-3, (2R)-1-[2-[1-[[(2S)-tetrahydrofu…

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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) 3.06 6.14 -16.03 1 9 0 102 456.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]-2-(trifluoromethyl)-3, (2S)-1-[2-[1-[[(2R)-tetrahydrofu…

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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) 3.06 6.16 -14.87 1 9 0 102 456.45 6 ↓

Parameters Provided:

ring.id = 6434
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 = 6434 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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