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Analogs

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Popular Name: (5-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)-[(3R)-1-[(5-methyl-2-thienyl)sulfonyl (5-methyl-3,4-dihydro-2H-[1,4]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) 3.52 7.78 -20.14 0 8 0 87 485.635 3 ↓

Analogs

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Popular Name: (5-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)-[(3S)-1-[(5-methyl-2-thienyl)sulfonyl (5-methyl-3,4-dihydro-2H-[1,4]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) 3.52 7.03 -16.46 0 8 0 87 485.635 3 ↓

Analogs

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Popular Name: [4-(5-methyl3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-1-carbonyl)-1-piperidyl]-(o-tolyl)methan [4-(5-methyl3,4-dihydro-2H-[1,4]…

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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) 3.41 10.24 -26.98 0 7 0 70 443.551 2 ↓

Analogs

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Popular Name: [6-(2,5-dimethyl-3-thienyl)-3-methyl-isoxazolo[5,4-b]pyridin-4-yl]-(5-methyl-3,4-dihydro-2H-[1,4]dia [6-(2,5-dimethyl-3-thienyl)-3-me…

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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) 4.32 9.59 -13.11 0 8 0 88 484.585 2 ↓

Analogs

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Popular Name: [(5S,7R)-3-chloro-1-adamantyl]-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[3,2-b]quinoxalin-5-yl)methano [(5S,7R)-3-chloro-1-adamantyl]-(…

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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) 4.69 10.85 -15.55 0 5 0 49 410.949 1 ↓

Analogs

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Popular Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[3,2-b]quinoxalin-5-yl) [2-(2,3-dimethoxyphenyl)thiazol-…

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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) 4.26 8.5 -16.23 0 8 0 81 461.547 4 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)sulfanyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)ethanone 2-(4-fluorophenyl)sulfanyl-1-(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) 3.86 10.57 -9.73 0 5 0 49 382.464 3 ↓

Parameters Provided:

ring.id = 105566
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 = 105566 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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