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Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine (1R)-1-cyclopropyl-2-(4-methyl-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) 1.69 6.17 -42.38 3 3 1 34 232.351 3 ↓
Mid Mid (pH 6-8) 1.69 6.62 -99.33 4 3 2 35 233.359 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine (1R)-1-cyclopropyl-N-methyl-2-(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) 2.60 7.51 -42.06 2 3 1 23 246.378 4 ↓
Mid Mid (pH 6-8) 2.60 8.27 -89.81 3 3 2 24 247.386 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine (1S)-1-cyclopropyl-N-methyl-2-(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) 2.60 7.49 -38.08 2 3 1 23 246.378 4 ↓
Mid Mid (pH 6-8) 2.60 8.33 -96.06 3 3 2 24 247.386 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(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) 2.97 8.69 -33.02 2 3 1 23 260.405 5 ↓
Mid Mid (pH 6-8) 2.97 9.08 -88.58 3 3 2 24 261.413 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(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) 2.97 8.31 -36.27 2 3 1 23 260.405 5 ↓
Mid Mid (pH 6-8) 2.97 9.15 -94.23 3 3 2 24 261.413 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(4-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) 3.48 9.44 -33.43 2 3 1 23 274.432 6 ↓
Mid Mid (pH 6-8) 3.48 9.84 -89.73 3 3 2 24 275.44 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(4-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) 3.48 8.89 -37.01 2 3 1 23 274.432 6 ↓
Mid Mid (pH 6-8) 3.48 9.61 -95.6 3 3 2 24 275.44 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(methylamin…

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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) 2.45 6.24 -7.81 1 4 0 42 270.38 4 ↓
Mid Mid (pH 6-8) 2.45 6.61 -38.02 2 4 1 43 271.388 4 ↓
Lo Low (pH 4.5-6) 2.45 7.79 -106.22 3 4 2 48 272.396 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(methylamin…

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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) 2.45 5.44 -5.83 1 4 0 42 270.38 4 ↓
Mid Mid (pH 6-8) 2.45 5.91 -38.75 2 4 1 43 271.388 4 ↓
Lo Low (pH 4.5-6) 2.45 7.53 -105.81 3 4 2 48 272.396 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile (2R)-2-amino-2-cyclopropyl-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) 2.08 5.76 -10.62 2 4 0 56 256.353 3 ↓
Mid Mid (pH 6-8) 2.08 6.19 -38.95 3 4 1 57 257.361 3 ↓
Lo Low (pH 4.5-6) 2.08 6.59 -111.8 4 4 2 59 258.369 3 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(ethylamino…

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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) 2.83 7.21 -8.13 1 4 0 42 284.407 5 ↓
Mid Mid (pH 6-8) 2.83 7.53 -37.23 2 4 1 43 285.415 5 ↓
Lo Low (pH 4.5-6) 2.83 8.54 -103.36 3 4 2 48 286.423 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(ethylamino…

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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) 2.83 6.79 -6.06 1 4 0 42 284.407 5 ↓
Mid Mid (pH 6-8) 2.83 7.14 -42.78 2 4 1 43 285.415 5 ↓
Lo Low (pH 4.5-6) 2.83 8.34 -103.45 3 4 2 48 286.423 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanol (1R)-1-cyclopropyl-2-(4-methyl-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) 2.18 5.28 -5.98 1 3 0 27 232.327 3 ↓
Mid Mid (pH 6-8) 2.18 5.77 -33.37 2 3 1 28 233.335 3 ↓
Lo Low (pH 4.5-6) 2.18 5.6 -30.62 2 3 1 28 233.335 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic (2S)-2-amino-2-cyclopropyl-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) -0.44 6.52 -31.08 3 5 0 74 275.352 4 ↓
Hi High (pH 8-9.5) -0.44 6.26 -46.72 2 5 -1 73 274.344 4 ↓
Mid Mid (pH 6-8) -0.44 7.27 -75.05 4 5 1 75 276.36 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic (2R)-2-cyclopropyl-2-(methylamin…

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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) -0.06 7.46 -24.34 2 5 0 63 289.379 5 ↓
Hi High (pH 8-9.5) -0.06 6.39 -49.36 1 5 -1 59 288.371 5 ↓
Mid Mid (pH 6-8) -0.06 8.01 -76.31 3 5 1 64 290.387 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic (2S)-2-cyclopropyl-2-(methylamin…

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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) -0.06 7.72 -28.31 2 5 0 63 289.379 5 ↓
Hi High (pH 8-9.5) -0.06 6.73 -47.83 1 5 -1 59 288.371 5 ↓
Mid Mid (pH 6-8) -0.06 8.38 -70.47 3 5 1 64 290.387 5 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanamide (2S)-2-amino-2-cyclopropyl-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) 1.03 3.05 -52.39 5 5 1 77 275.376 4 ↓
Mid Mid (pH 6-8) 1.03 3.73 -115 6 5 2 78 276.384 4 ↓
Mid Mid (pH 6-8) 1.03 2.77 -9.35 4 5 0 76 274.368 4 ↓

Analogs

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Popular Name: methyl 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) 2.16 6.36 -5.87 2 5 0 59 289.379 5 ↓
Mid Mid (pH 6-8) 2.16 6.88 -39 3 5 1 60 290.387 5 ↓
Mid Mid (pH 6-8) 2.16 6.65 -42.98 3 5 1 60 290.387 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanamide (2R)-2-cyclopropyl-2-(methylamin…

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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) 1.40 4.04 -47.37 4 5 1 66 289.403 5 ↓
Mid Mid (pH 6-8) 1.40 2.96 -9.04 3 5 0 62 288.395 5 ↓
Mid Mid (pH 6-8) 1.40 4.15 -92.07 5 5 2 67 290.411 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanamide (2S)-2-cyclopropyl-2-(methylamin…

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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) 1.40 4.33 -46.98 4 5 1 66 289.403 5 ↓
Mid Mid (pH 6-8) 1.40 3.33 -8.79 3 5 0 62 288.395 5 ↓
Mid Mid (pH 6-8) 1.40 5.12 -109.5 5 5 2 67 290.411 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-ol (2S)-2-cyclopropyl-2-(methylamin…

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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 5.19 -36.47 3 4 1 43 276.404 5 ↓
Hi High (pH 8-9.5) 2.04 4.23 -4.12 2 4 0 39 275.396 5 ↓
Mid Mid (pH 6-8) 2.04 5.41 -87.94 4 4 2 45 277.412 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-ol (2R)-2-cyclopropyl-2-(methylamin…

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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 4.38 -29.3 3 4 1 43 276.404 5 ↓
Hi High (pH 8-9.5) 2.04 3.25 -5.1 2 4 0 39 275.396 5 ↓
Mid Mid (pH 6-8) 2.04 5.26 -93.05 4 4 2 45 277.412 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-ol (2S)-2-cyclopropyl-2-(ethylamino…

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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) 2.41 5.95 -34.67 3 4 1 43 290.431 6 ↓
Hi High (pH 8-9.5) 2.41 5.08 -4.02 2 4 0 39 289.423 6 ↓
Mid Mid (pH 6-8) 2.41 6.64 -88.67 4 4 2 45 291.439 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-ol (2R)-2-cyclopropyl-2-(ethylamino…

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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) 2.41 5.19 -28.03 3 4 1 43 290.431 6 ↓
Hi High (pH 8-9.5) 2.41 4.14 -4.84 2 4 0 39 289.423 6 ↓
Mid Mid (pH 6-8) 2.41 5.75 -89.34 4 4 2 45 291.439 6 ↓

Parameters Provided:

ring.id = 269767
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 269767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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