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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-(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-(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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Activity (Go SEA)

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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Activity (Go SEA)

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 ↓

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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Activity (Go SEA)

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-(3-fluoroanilino)ethyl]quinoxalin-2-one 1-[2-(3-fluoroanilino)ethyl]quin…

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Activity (Go SEA)

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) 2.87 6.37 -9.66 1 4 0 47 283.306 4 ↓

Analogs

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Popular Name: 1-[2-(3-bromoanilino)ethyl]quinoxalin-2-one 1-[2-(3-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) 3.52 6.93 -9.07 1 4 0 47 344.212 4 ↓

Analogs

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

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Activity (Go SEA)

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) 3.13 7.11 -9.57 1 4 0 47 279.343 4 ↓

Analogs

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Popular Name: 1-[2-(4-bromoanilino)ethyl]quinoxalin-2-one 1-[2-(4-bromoanilino)ethyl]quino…

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Activity (Go SEA)

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) 3.54 6.93 -9.49 1 4 0 47 344.212 4 ↓

Analogs

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Popular Name: 1-(2-anilinoethyl)quinoxalin-2-one 1-(2-anilinoethyl)quinoxalin-2-one

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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) 2.73 6.31 -9.45 1 4 0 47 265.316 4 ↓

Analogs

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Popular Name: 1-(2-anilinoethyl)-3-methyl-quinoxalin-2-one 1-(2-anilinoethyl)-3-methyl-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) 2.95 6.94 -9.47 1 4 0 47 279.343 4 ↓

Parameters Provided:

ring.id = 72824
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 = 72824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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