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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41545609
41545609

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Popular Name: (2S)-N-(5-acetyl-4-methyl-thiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-acetyl-4-methyl-thiazo…

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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) 1.64 5.67 -20.46 2 7 0 97 345.38 3 ↓
Hi High (pH 8-9.5) 1.82 2.71 -55.03 1 7 -1 104 344.372 3 ↓

Analogs

41545606
41545606

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Popular Name: (2R)-N-(5-acetyl-4-methyl-thiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-acetyl-4-methyl-thiazo…

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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) 1.64 4.17 -19.34 2 7 0 97 345.38 3 ↓
Hi High (pH 8-9.5) 1.82 2.71 -44.75 1 7 -1 104 344.372 3 ↓

Analogs

41546084
41546084
36365144
36365144

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Popular Name: (2R)-N-(4-tert-butylthiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(4-tert-butylthiazol-2-yl…

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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) 3.22 5.21 -10.67 2 6 0 80 345.424 3 ↓

Analogs

36365144
36365144
41546081
41546081

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Popular Name: (2S)-N-(4-tert-butylthiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(4-tert-butylthiazol-2-yl…

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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) 3.22 6.64 -12.14 2 6 0 80 345.424 3 ↓

Analogs

41546745
41546745
36365544
36365544
36365546
36365546

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Popular Name: (2S)-2-methyl-N-(5-methylthiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-N-(5-methylthiazol…

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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) 1.50 5.22 -18.46 2 6 0 80 303.343 2 ↓

Analogs

36365544
36365544
36365546
36365546
41546742
41546742

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Popular Name: (2R)-2-methyl-N-(5-methylthiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-N-(5-methylthiazol…

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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) 1.50 3.74 -17.04 2 6 0 80 303.343 2 ↓

Analogs

41547703
41547703

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Popular Name: (2S)-N-[5-(dimethylcarbamoyl)-4-methyl-thiazol-2-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxa (2S)-N-[5-(dimethylcarbamoyl)-4-…

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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) 1.60 5.62 -23.2 2 8 0 101 388.449 3 ↓
Hi High (pH 8-9.5) 1.79 2.63 -59.66 1 8 -1 107 387.441 3 ↓

Analogs

41547700
41547700

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Popular Name: (2R)-N-[5-(dimethylcarbamoyl)-4-methyl-thiazol-2-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxa (2R)-N-[5-(dimethylcarbamoyl)-4-…

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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) 1.60 4.13 -22.16 2 8 0 101 388.449 3 ↓
Hi High (pH 8-9.5) 1.79 2.64 -49.36 1 8 -1 107 387.441 3 ↓

Analogs

41547708
41547708

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Popular Name: (2S)-N-(4-tert-butylthiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(4-tert-butylthiazol-2-yl…

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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 7.34 -11.73 2 6 0 80 359.451 3 ↓

Analogs

41547705
41547705

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Popular Name: (2R)-N-(4-tert-butylthiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(4-tert-butylthiazol-2-yl…

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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 5.89 -10.31 2 6 0 80 359.451 3 ↓

Analogs

41548277
41548277

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Popular Name: (2S)-2,6-dimethyl-N-(5-methylthiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2,6-dimethyl-N-(5-methylthi…

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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) 1.92 5.92 -18.06 2 6 0 80 317.37 2 ↓

Analogs

41548276
41548276

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Popular Name: (2R)-2,6-dimethyl-N-(5-methylthiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2,6-dimethyl-N-(5-methylthi…

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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) 1.92 4.42 -16.76 2 6 0 80 317.37 2 ↓

Analogs

41548790
41548790

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Popular Name: (2S)-N-(5-acetyl-4-methyl-thiazol-2-yl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-acetyl-4-methyl-thiazo…

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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) 2.29 6.14 -19.83 2 7 0 97 379.825 3 ↓
Hi High (pH 8-9.5) 2.48 3.2 -50.57 1 7 -1 104 378.817 3 ↓

Analogs

41548788
41548788

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Popular Name: (2R)-N-(5-acetyl-4-methyl-thiazol-2-yl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-acetyl-4-methyl-thiazo…

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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) 2.29 4.66 -18.83 2 7 0 97 379.825 3 ↓
Hi High (pH 8-9.5) 2.48 3.19 -41.01 1 7 -1 104 378.817 3 ↓

Analogs

41548794
41548794
36360888
36360888
36360889
36360889

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Popular Name: ethyl ethyl

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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) 2.60 6.79 -12.11 2 8 0 107 409.851 5 ↓

Analogs

41548792
41548792

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Popular Name: ethyl ethyl

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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) 2.60 5.35 -11 2 8 0 107 409.851 5 ↓

Analogs

41549240
41549240

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Popular Name: (2S)-6-chloro-N-[5-(dimethylcarbamoyl)-4-methyl-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-ca (2S)-6-chloro-N-[5-(dimethylcarb…

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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) 1.83 5.48 -22.94 2 8 0 101 408.867 3 ↓
Hi High (pH 8-9.5) 2.02 2.51 -55.32 1 8 -1 107 407.859 3 ↓

Analogs

41549238
41549238

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Popular Name: (2R)-6-chloro-N-[5-(dimethylcarbamoyl)-4-methyl-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-ca (2R)-6-chloro-N-[5-(dimethylcarb…

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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) 1.83 3.99 -21.93 2 8 0 101 408.867 3 ↓
Hi High (pH 8-9.5) 2.02 2.51 -45.48 1 8 -1 107 407.859 3 ↓

Analogs

41549244
41549244

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Popular Name: (2S)-6-chloro-N-(4,5-dimethylthiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(4,5-dimethylthi…

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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) 2.38 6.24 -18 2 6 0 80 351.815 2 ↓

Analogs

41549242
41549242

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Popular Name: (2R)-6-chloro-N-(4,5-dimethylthiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(4,5-dimethylthi…

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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) 2.38 4.76 -16.63 2 6 0 80 351.815 2 ↓

Analogs

41549248
41549248

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Popular Name: (2R)-N-(4-tert-butylthiazol-2-yl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(4-tert-butylthiazol-2-yl…

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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) 3.88 5.74 -9.78 2 6 0 80 379.869 3 ↓

Analogs

41549246
41549246

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Popular Name: (2S)-N-(4-tert-butylthiazol-2-yl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(4-tert-butylthiazol-2-yl…

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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) 3.88 7.17 -11.16 2 6 0 80 379.869 3 ↓

Analogs

41550154
41550154
36365544
36365544
36365546
36365546

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Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-thiazol-2-yl-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-3-oxo-N-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) 1.93 3.44 -16.32 2 6 0 80 323.761 2 ↓

Analogs

36365544
36365544
36365546
36365546
41550151
41550151

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Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-thiazol-2-yl-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-3-oxo-N-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) 1.93 4.92 -17.6 2 6 0 80 323.761 2 ↓

Analogs

41550171
41550171
36365144
36365144

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Popular Name: (2S)-6-chloro-2-methyl-N-(4-methylthiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-N-(4-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) 2.15 5.14 -11.74 2 6 0 80 337.788 2 ↓

Analogs

36365144
36365144
41550168
41550168

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Popular Name: (2R)-6-chloro-2-methyl-N-(4-methylthiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-(4-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) 2.15 3.7 -10.34 2 6 0 80 337.788 2 ↓

Analogs

41550176
41550176

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Popular Name: (2S)-6-chloro-2-methyl-N-(5-methylthiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-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) 2.15 5.75 -17.59 2 6 0 80 337.788 2 ↓

Analogs

41550173
41550173

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Popular Name: (2R)-6-chloro-2-methyl-N-(5-methylthiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-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) 2.15 4.25 -16.18 2 6 0 80 337.788 2 ↓

Parameters Provided:

ring.id = 546889
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 = 546889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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