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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one 5-[(3R)-3-(aminomethyl)pyrrolidi…

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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) -1.34 -0.52 -53.42 4 6 1 94 223.256 2 ↓
Hi High (pH 8-9.5) -0.88 -2.61 -75.93 3 6 0 97 222.248 2 ↓

Analogs

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Popular Name: 1-[2-[(3S)-3-(3-methoxypropyl)-1-piperidyl]-2-oxo-ethyl]-3-methyl-quinoxalin-2-one 1-[2-[(3S)-3-(3-methoxypropyl)-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) 2.12 7.86 -18.77 0 6 0 64 357.454 6 ↓

Analogs

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Popular Name: 1-[2-[(3R)-3-(3-methoxypropyl)-1-piperidyl]-2-oxo-ethyl]-3-methyl-quinoxalin-2-one 1-[2-[(3R)-3-(3-methoxypropyl)-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) 2.12 7.85 -18.79 0 6 0 64 357.454 6 ↓

Analogs

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Popular Name: (2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-2-phenyl-propanoic (2R)-2-[(6-oxo-1H-pyrazine-3-car…

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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) 0.38 3.69 -55.23 2 7 -1 115 286.267 4 ↓
Hi High (pH 8-9.5) 0.84 1.61 -104.89 1 7 -2 118 285.259 4 ↓

Analogs

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Popular Name: (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-2-phenyl-propanoic (2S)-2-[(6-oxo-1H-pyrazine-3-car…

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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) 0.38 3.69 -55.22 2 7 -1 115 286.267 4 ↓
Hi High (pH 8-9.5) 0.84 1.61 -104.89 1 7 -2 118 285.259 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) -0.51 0.6 -53.16 5 6 1 102 273.316 5 ↓
Hi High (pH 8-9.5) -0.05 -1.49 -76.14 4 6 0 106 272.308 5 ↓

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]quinoxalin-2-one 1-[2-(2-aminophenyl)ethyl]quinox…

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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) 2.49 6.11 -8.09 2 4 0 61 265.316 3 ↓

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]-3-methyl-quinoxalin-2-one 1-[2-(2-aminophenyl)ethyl]-3-met…

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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) 2.71 6.75 -8.09 2 4 0 61 279.343 3 ↓

Analogs

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Popular Name: 3-(BLAHcarbonyl)-1-methyl-quinoxalin-2-one 3-(BLAHcarbonyl)-1-methyl-quinox…

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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 9.25 -18.42 0 5 0 55 323.396 1 ↓

Analogs

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Popular Name: 1-(3-oxo-3-piperazin-1-yl-propyl)quinoxalin-2-one 1-(3-oxo-3-piperazin-1-yl-propyl…

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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) 0.17 4.24 -52.51 2 6 1 72 287.343 3 ↓
Mid Mid (pH 6-8) 0.17 2.95 -11.98 1 6 0 67 286.335 3 ↓

Analogs

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Popular Name: MFCD22373693 MFCD22373693

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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) 2.69 7.91 -15.22 2 4 0 66 298.729 2 ↓
Hi High (pH 8-9.5) 3.86 4.3 -51.96 0 4 -1 66 297.721 3 ↓
Mid Mid (pH 6-8) 2.69 6.85 -6.93 2 4 0 66 298.729 2 ↓

Analogs

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Popular Name: 1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-6-methoxy-3-phenyl-quinoxalin-2-o 1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-oc…

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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) 4.65 11.79 -42.45 1 5 1 49 404.534 4 ↓

Analogs

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Popular Name: 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-6-methoxy-3-phenyl-quinoxalin-2-o 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-oc…

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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) 4.65 11.87 -43.98 1 5 1 49 404.534 4 ↓

Analogs

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Popular Name: 1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-benzyl-6-methoxy-quinoxalin-2-o 1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-oc…

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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) 5.18 12.71 -41.89 1 5 1 49 418.561 5 ↓

Analogs

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Popular Name: 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-benzyl-6-methoxy-quinoxalin-2-o 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-oc…

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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) 5.18 12.79 -43.27 1 5 1 49 418.561 5 ↓

Analogs

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Popular Name: N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide N-[2-(morpholine-4-carbonyl)benz…

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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 6.44 -18.25 1 9 0 107 432.436 4 ↓

Analogs

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Popular Name: 3-(2-oxoquinoxalin-1-yl)propanethioamide 3-(2-oxoquinoxalin-1-yl)propanet…

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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) 0.44 3.46 -14.88 2 4 0 61 233.296 3 ↓

Analogs

19864290
19864290

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Popular Name: 1-[(2R)-2-hydroxy-3-methylamino-propyl]quinoxalin-2-one 1-[(2R)-2-hydroxy-3-methylamino-…

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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) 0.39 1.79 -45.07 3 5 1 72 234.279 4 ↓
Hi High (pH 8-9.5) 0.39 0.22 -10.57 2 5 0 67 233.271 4 ↓

Analogs

19864287
19864287

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Popular Name: 1-[(2S)-2-hydroxy-3-methylamino-propyl]quinoxalin-2-one 1-[(2S)-2-hydroxy-3-methylamino-…

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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) 0.39 1.44 -41.83 3 5 1 72 234.279 4 ↓
Hi High (pH 8-9.5) 0.39 -0.05 -8.4 2 5 0 67 233.271 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -0.91 -0.04 -10.3 2 6 0 86 223.232 4 ↓
Hi High (pH 8-9.5) -0.45 -2.14 -40 1 6 -1 89 222.224 4 ↓

Analogs

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Popular Name: 1-[2-[(4-methylcyclohexyl)amino]ethyl]quinoxalin-2-one 1-[2-[(4-methylcyclohexyl)amino]…

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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) 2.71 7.46 -47.88 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 1-[2-(2-pyridylmethylamino)ethyl]quinoxalin-2-one 1-[2-(2-pyridylmethylamino)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) 1.26 5.65 -49.33 2 5 1 64 281.339 5 ↓
Mid Mid (pH 6-8) 1.26 4.3 -10.94 1 5 0 60 280.331 5 ↓

Analogs

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Popular Name: 1-[2-(4-fluoroanilino)ethyl]quinoxalin-2-one 1-[2-(4-fluoroanilino)ethyl]quin…

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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) 2.90 6.37 -10.22 1 4 0 47 283.306 4 ↓

Analogs

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Popular Name: 1-[2-(2-bromoanilino)ethyl]quinoxalin-2-one 1-[2-(2-bromoanilino)ethyl]quino…

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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) 3.49 7.02 -8.79 1 4 0 47 344.212 4 ↓

Analogs

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Popular Name: 1-[2-(2-chloroanilino)ethyl]quinoxalin-2-one 1-[2-(2-chloroanilino)ethyl]quin…

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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 6.9 -8.81 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 1-[2-(2-thienylmethylamino)ethyl]quinoxalin-2-one 1-[2-(2-thienylmethylamino)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) 2.33 6.59 -49.58 2 4 1 52 286.38 5 ↓
Mid Mid (pH 6-8) 2.33 5.25 -8.6 1 4 0 47 285.372 5 ↓

Analogs

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Popular Name: 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1S,2R)-2-methylcyclohexy…

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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) 3.18 7.33 -46.08 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1S,2S)-2-methylcyclohexy…

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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) 3.18 7.53 -45.97 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1R,2R)-2-methylcyclohexy…

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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) 3.18 7.53 -45.91 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1R,2S)-2-methylcyclohexy…

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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) 3.18 7.33 -46.96 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 1-[2-(butylamino)ethyl]quinoxalin-2-one 1-[2-(butylamino)ethyl]quinoxali…

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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) 2.12 6 -47.58 2 4 1 52 246.334 6 ↓

Analogs

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Popular Name: 1-[2-[[(1R)-1-methylpropyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1R)-1-methylpropyl]amino…

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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 5.8 -44.17 2 4 1 52 246.334 5 ↓

Analogs

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Popular Name: 1-[2-[[(1S)-1-methylpropyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1S)-1-methylpropyl]amino…

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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 5.81 -44.05 2 4 1 52 246.334 5 ↓

Analogs

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Popular Name: 1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1S)-2-methoxy-1-methyl-e…

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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) 1.35 4.21 -42.67 2 5 1 61 262.333 6 ↓
Hi High (pH 8-9.5) 1.35 2.97 -8.02 1 5 0 56 261.325 6 ↓

Analogs

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Popular Name: 1-[2-[[(1R)-2-methoxy-1-methyl-ethyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1R)-2-methoxy-1-methyl-e…

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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) 1.35 4.21 -45.41 2 5 1 61 262.333 6 ↓
Hi High (pH 8-9.5) 1.35 2.98 -8.29 1 5 0 56 261.325 6 ↓

Analogs

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Popular Name: 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one 1-[2-(3-methylanilino)ethyl]quin…

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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) 3.16 6.97 -9.54 1 4 0 47 279.343 4 ↓

Analogs

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Popular Name: 1-[2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]quinoxalin-2-one 1-[2-[[(2S)-tetrahydrofuran-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) 1.06 4.82 -44.51 2 5 1 61 274.344 5 ↓
Hi High (pH 8-9.5) 1.06 3.41 -8.69 1 5 0 56 273.336 5 ↓

Analogs

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Popular Name: 1-[2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]quinoxalin-2-one 1-[2-[[(2R)-tetrahydrofuran-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) 1.06 4.83 -46.59 2 5 1 61 274.344 5 ↓
Hi High (pH 8-9.5) 1.06 3.51 -9.08 1 5 0 56 273.336 5 ↓

Analogs

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Popular Name: 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one 1-[2-(4-methylanilino)ethyl]quin…

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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) 3.18 6.98 -9.51 1 4 0 47 279.343 4 ↓

Analogs

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Popular Name: 1-[2-(4-chloroanilino)ethyl]quinoxalin-2-one 1-[2-(4-chloroanilino)ethyl]quin…

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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) 3.41 6.83 -9.49 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 1-[2-(2-fluoroanilino)ethyl]quinoxalin-2-one 1-[2-(2-fluoroanilino)ethyl]quin…

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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) 2.85 6.4 -9.48 1 4 0 47 283.306 4 ↓

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Popular Name: 1-[4-(propylamino)butyl]quinoxalin-2-one 1-[4-(propylamino)butyl]quinoxal…

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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) 2.10 6.77 -46.45 2 4 1 52 260.361 7 ↓

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Popular Name: 1-[4-(isopropylamino)butyl]quinoxalin-2-one 1-[4-(isopropylamino)butyl]quino…

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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) 2.25 6.54 -44.28 2 4 1 52 260.361 6 ↓

Analogs

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Popular Name: 1-[4-(cyclopropylamino)butyl]quinoxalin-2-one 1-[4-(cyclopropylamino)butyl]qui…

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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) 1.94 6.74 -44.46 2 4 1 52 258.345 6 ↓

Analogs

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Popular Name: 1-[4-(tert-butylamino)butyl]quinoxalin-2-one 1-[4-(tert-butylamino)butyl]quin…

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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) 2.76 6.98 -43.41 2 4 1 52 274.388 6 ↓

Analogs

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Popular Name: 1-[4-(isobutylamino)butyl]quinoxalin-2-one 1-[4-(isobutylamino)butyl]quinox…

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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) 2.35 7.45 -46.36 2 4 1 52 274.388 7 ↓

Analogs

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Popular Name: 1-[4-(2-methoxyethylamino)butyl]quinoxalin-2-one 1-[4-(2-methoxyethylamino)butyl]…

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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) 1.21 5.15 -45.99 2 5 1 61 276.36 8 ↓

Analogs

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Popular Name: 1-[2-(3-chloroanilino)ethyl]quinoxalin-2-one 1-[2-(3-chloroanilino)ethyl]quin…

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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 6.83 -9.19 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 1-[2-[[(1R)-1-methylbutyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1R)-1-methylbutyl]amino]…

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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 6.57 -45.35 2 4 1 52 260.361 6 ↓

Analogs

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Popular Name: 1-[2-[[(1S)-1-methylbutyl]amino]ethyl]quinoxalin-2-one 1-[2-[[(1S)-1-methylbutyl]amino]…

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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 6.56 -45.07 2 4 1 52 260.361 6 ↓

Parameters Provided:

ring.id = 10446
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 = 10446 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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