UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,N-diethyl-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide N,N-diethyl-3-(3-oxo-2,4-dihydro…

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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) 2.47 5.28 -17.29 1 7 0 87 387.461 5 ↓

Analogs

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Popular Name: 4-(3-methyl-4-nitro-benzoyl)-1,3-dihydroquinoxalin-2-one 4-(3-methyl-4-nitro-benzoyl)-1,3…

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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) 2.77 6.84 -12.2 1 7 0 95 311.297 2 ↓

Analogs

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Popular Name: N,N-dimethyl-4-(3-oxo2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide N,N-dimethyl-4-(3-oxo2,4-dihydro…

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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) 1.75 -4.67 -15.78 1 7 0 87 359.407 3 ↓

Analogs

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Popular Name: 4-(4-isopropylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one 4-(4-isopropylsulfonylbenzoyl)-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) 2.04 -4.14 -16.37 1 6 0 84 358.419 3 ↓

Analogs

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Popular Name: 4-(3-isopropylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one 4-(3-isopropylsulfonylbenzoyl)-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) 2.02 -4.14 -18.52 1 6 0 84 358.419 3 ↓

Analogs

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Popular Name: 4-(4-isopentyloxybenzoyl)-1,3-dihydroquinoxalin-2-one 4-(4-isopentyloxybenzoyl)-1,3-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) 4.14 7.88 -10.64 1 5 0 59 338.407 5 ↓

Analogs

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Popular Name: 4-(3-methoxybenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one 4-(3-methoxybenzoyl)-7-(trifluor…

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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 5.86 -11.52 1 5 0 59 350.296 3 ↓

Analogs

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Popular Name: 4-(2-methyl-3,5-dinitro-benzoyl)-1,3-dihydroquinoxalin-2-one 4-(2-methyl-3,5-dinitro-benzoyl)…

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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) 2.65 7.5 -10.69 1 10 0 141 356.294 3 ↓

Analogs

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Popular Name: 4-(2-methoxy-5-nitro-benzoyl)-1,3-dihydroquinoxalin-2-one 4-(2-methoxy-5-nitro-benzoyl)-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) 2.92 6.02 -14.08 1 8 0 104 327.296 3 ↓

Analogs

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Popular Name: N-[2-methyl-5-(3-oxo2,4-dihydroquinoxaline-1-carbonyl)phenyl]methanesulfonamide N-[2-methyl-5-(3-oxo2,4-dihydroq…

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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) 2.04 2.97 -20.57 2 7 0 96 359.407 3 ↓
Hi High (pH 8-9.5) 2.04 3.05 -49.62 1 7 -1 98 358.399 3 ↓

Analogs

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Popular Name: N-[3-(3-oxo2,4-dihydroquinoxaline-1-carbonyl)phenyl]methanesulfonamide N-[3-(3-oxo2,4-dihydroquinoxalin…

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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 2.12 -23.01 2 7 0 96 345.38 3 ↓
Hi High (pH 8-9.5) 1.64 2.19 -51.88 1 7 -1 98 344.372 3 ↓

Analogs

39269014
39269014
39269015
39269015

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Popular Name: 4-benzoyl-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-benzoyl-3-methyl-3,4-dihydro-2…

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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) 2.40 6.09 -10.76 1 4 0 49 266.3 1 ↓

Analogs

39269014
39269014
39269015
39269015

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Popular Name: 4-benzoyl-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-benzoyl-3-methyl-3,4-dihydro-2…

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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) 2.40 6.16 -10.45 1 4 0 49 266.3 1 ↓

Analogs

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Popular Name: 4-(4-chlorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-(4-chlorobenzoyl)-3-methyl-3,4…

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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) 3.07 6.62 -9.32 1 4 0 49 300.745 1 ↓

Analogs

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Popular Name: 4-(4-chlorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-(4-chlorobenzoyl)-3-methyl-3,4…

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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) 3.07 6.68 -9.17 1 4 0 49 300.745 1 ↓

Analogs

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Popular Name: 3-methyl-4-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2(1H)-quinoxalinone 3-methyl-4-[3-(trifluoromethyl)b…

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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) 3.27 7.11 -11.87 1 4 0 49 334.297 2 ↓

Analogs

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Popular Name: 3-methyl-4-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2(1H)-quinoxalinone 3-methyl-4-[3-(trifluoromethyl)b…

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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) 3.27 7.17 -11.6 1 4 0 49 334.297 2 ↓

Analogs

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Popular Name: 4-(2,4-difluorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-(2,4-difluorobenzoyl)-3-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) 2.65 6.27 -12.14 1 4 0 49 302.28 1 ↓

Analogs

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Popular Name: 4-(2,4-difluorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-(2,4-difluorobenzoyl)-3-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) 2.65 6.26 -11.87 1 4 0 49 302.28 1 ↓

Analogs

39269014
39269014
39269015
39269015

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Popular Name: 3-methyl-4-(4-methylbenzoyl)-3,4-dihydro-2(1H)-quinoxalinone 3-methyl-4-(4-methylbenzoyl)-3,4…

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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) 2.84 6.78 -10.49 1 4 0 49 280.327 1 ↓

Analogs

39269014
39269014
39269015
39269015

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Popular Name: 3-methyl-4-(4-methylbenzoyl)-3,4-dihydro-2(1H)-quinoxalinone 3-methyl-4-(4-methylbenzoyl)-3,4…

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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) 2.84 6.83 -10.2 1 4 0 49 280.327 1 ↓

Analogs

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Popular Name: 4-(4-fluorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-(4-fluorobenzoyl)-3-methyl-3,4…

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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) 2.56 6.17 -9.64 1 4 0 49 284.29 1 ↓

Analogs

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Popular Name: 4-(4-fluorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-(4-fluorobenzoyl)-3-methyl-3,4…

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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) 2.56 6.23 -9.49 1 4 0 49 284.29 1 ↓

Analogs

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Popular Name: 4-(2,6-difluorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-(2,6-difluorobenzoyl)-3-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) 2.63 6.44 -14.01 1 4 0 49 302.28 1 ↓

Analogs

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Popular Name: 4-(2,6-difluorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone 4-(2,6-difluorobenzoyl)-3-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) 2.63 6.54 -13.76 1 4 0 49 302.28 1 ↓

Analogs

10372082
10372082

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Popular Name: 4-[4-(trifluoromethylsulfanyl)benzoyl]-1,3-dihydroquinoxalin-2-one 4-[4-(trifluoromethylsulfanyl)be…

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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) 6.42 7.04 -10.54 1 4 0 49 352.337 3 ↓

Analogs

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Popular Name: 4-(2-amino-4-fluoro-benzoyl)-1,3-dihydroquinoxalin-2-one 4-(2-amino-4-fluoro-benzoyl)-1,3…

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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) 2.01 3.73 -9.47 3 5 0 75 285.278 1 ↓

Analogs

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Popular Name: 4-(4-bromo-2-chloro-benzoyl)-1,3-dihydroquinoxalin-2-one 4-(4-bromo-2-chloro-benzoyl)-1,3…

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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) 3.85 6.71 -10.85 1 4 0 49 365.614 1 ↓

Analogs

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Popular Name: 4-[4-(ethylsulfanylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one 4-[4-(ethylsulfanylmethyl)benzoy…

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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) 3.30 8.35 -11.24 1 4 0 49 326.421 4 ↓

Analogs

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Popular Name: 4-(4-chloro-2-methoxy-benzoyl)-1,3-dihydroquinoxalin-2-one 4-(4-chloro-2-methoxy-benzoyl)-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) 3.64 5.83 -12.35 1 5 0 59 316.744 2 ↓

Analogs

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Popular Name: 4-(2-methyl-5-nitro-benzoyl)-1,3-dihydroquinoxalin-2-one 4-(2-methyl-5-nitro-benzoyl)-1,3…

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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) 2.77 6.9 -11.71 1 7 0 95 311.297 2 ↓

Analogs

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Popular Name: N-[4-chloro-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methyl-methanesulfonamide N-[4-chloro-3-(3-oxo-2,4-dihydro…

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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 4.19 -18.73 1 7 0 87 393.852 3 ↓

Analogs

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Popular Name: 4-[2-(methylamino)benzoyl]-1,3-dihydroquinoxalin-2-one 4-[2-(methylamino)benzoyl]-1,3-d…

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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) 2.24 4.59 -10.13 2 5 0 61 281.315 2 ↓

Parameters Provided:

ring.id = 37964
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 = 37964 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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