UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38002909
38002909
38002910
38002910

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Popular Name: 6-[[(1S)-1-(2-thienyl)propyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S)-1-(2-thienyl)propyl]ami…

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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) 1.93 4.28 -12.54 3 5 0 78 301.371 4 ↓

Analogs

38002909
38002909
38002910
38002910

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(2-thienyl)propyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R)-1-(2-thienyl)propyl]ami…

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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) 1.93 4.79 -12.31 3 5 0 78 301.371 4 ↓

Analogs

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Popular Name: 6-[(5-methyl-2-thienyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione 6-[(5-methyl-2-thienyl)methylami…

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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) 1.09 4.04 -12.68 3 5 0 78 287.344 3 ↓

Analogs

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Popular Name: 6-[(5-chloro-2-thienyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione 6-[(5-chloro-2-thienyl)methylami…

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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) 1.67 3.84 -13.34 3 5 0 78 307.762 3 ↓

Analogs

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Popular Name: 6-(2-thienylmethylamino)-1,4-dihydroquinoxaline-2,3-dione 6-(2-thienylmethylamino)-1,4-dih…

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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) 0.87 3.21 -12.59 3 5 0 78 273.317 3 ↓

Analogs

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Popular Name: 6-[(3-methyl-2-thienyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione 6-[(3-methyl-2-thienyl)methylami…

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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) 1.24 3.78 -12.55 3 5 0 78 287.344 3 ↓

Analogs

38002909
38002909
38002910
38002910

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-bromo-2-thienyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione 6-[(5-bromo-2-thienyl)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) 1.80 3.94 -13.36 3 5 0 78 352.213 3 ↓

Analogs

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Popular Name: 6-[[(1S)-1-(5-chloro-2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S)-1-(5-chloro-2-thienyl)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) 2.23 4.56 -13.27 3 5 0 78 321.789 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(5-chloro-2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R)-1-(5-chloro-2-thienyl)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) 2.23 4.55 -13.27 3 5 0 78 321.789 3 ↓

Analogs

38002909
38002909
38002910
38002910

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R)-1-(5-methyl-2-thienyl)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) 1.65 4.76 -12.63 3 5 0 78 301.371 3 ↓

Analogs

38002909
38002909
38002910
38002910

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(5-methyl-2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S)-1-(5-methyl-2-thienyl)e…

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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) 1.65 4.76 -12.63 3 5 0 78 301.371 3 ↓

Analogs

38002909
38002909
38002910
38002910

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S)-1-(2-thienyl)ethyl]amin…

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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) 1.43 3.93 -12.57 3 5 0 78 287.344 3 ↓

Analogs

38002909
38002909
38002910
38002910

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R)-1-(2-thienyl)ethyl]amin…

Find On: PubMed — Wikipedia — Google

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) 1.43 3.93 -12.54 3 5 0 78 287.344 3 ↓

Analogs

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Popular Name: 6-[(4-bromo-2-thienyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione 6-[(4-bromo-2-thienyl)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) 1.60 3.82 -13.18 3 5 0 78 352.213 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R)-1-(3-methyl-2-thienyl)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) 1.80 4.48 -12.7 3 5 0 78 301.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S)-1-(3-methyl-2-thienyl)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) 1.80 4.48 -12.7 3 5 0 78 301.371 3 ↓

Analogs

38002909
38002909
38002910
38002910

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(3-bromo-2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S)-1-(3-bromo-2-thienyl)et…

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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 4.46 -12.35 3 5 0 78 366.24 3 ↓

Analogs

38002909
38002909
38002910
38002910

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(3-bromo-2-thienyl)ethyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R)-1-(3-bromo-2-thienyl)et…

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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 4.46 -12.33 3 5 0 78 366.24 3 ↓

Parameters Provided:

ring.id = 134554
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 = 134554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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