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

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Popular Name: 1-quinoxalin-2-yl-N-(2-thienylmethyl)methanamine 1-quinoxalin-2-yl-N-(2-thienylme…

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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 5.73 -46.79 2 3 1 42 256.354 4 ↓
Mid Mid (pH 6-8) 2.83 4.37 -8.88 1 3 0 38 255.346 4 ↓

Analogs

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Popular Name: (1S)-N-(quinoxalin-2-ylmethyl)-1-(2-thienyl)ethanamine (1S)-N-(quinoxalin-2-ylmethyl)-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) 3.39 6.26 -42.97 2 3 1 42 270.381 4 ↓
Mid Mid (pH 6-8) 3.39 5.04 -8.06 1 3 0 38 269.373 4 ↓

Analogs

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Popular Name: (1R)-N-(quinoxalin-2-ylmethyl)-1-(2-thienyl)ethanamine (1R)-N-(quinoxalin-2-ylmethyl)-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) 3.39 6.25 -43.71 2 3 1 42 270.381 4 ↓
Mid Mid (pH 6-8) 3.39 5.06 -8.27 1 3 0 38 269.373 4 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-(quinoxalin-2-ylmethyl)ethanamine (1S)-1-(5-chloro-2-thienyl)-N-(q…

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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) 4.19 6.88 -46.81 2 3 1 42 304.826 4 ↓
Mid Mid (pH 6-8) 4.19 5.66 -8.06 1 3 0 38 303.818 4 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-(quinoxalin-2-ylmethyl)ethanamine (1R)-1-(5-chloro-2-thienyl)-N-(q…

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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) 4.19 6.87 -47.78 2 3 1 42 304.826 4 ↓
Mid Mid (pH 6-8) 4.19 5.69 -8.45 1 3 0 38 303.818 4 ↓

Analogs

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Popular Name: (1S)-2-methyl-N-(quinoxalin-2-ylmethyl)-1-(2-thienyl)propan-1-amine (1S)-2-methyl-N-(quinoxalin-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) 4.14 7.38 -42.55 2 3 1 42 298.435 5 ↓
Mid Mid (pH 6-8) 4.14 6.3 -7.56 1 3 0 38 297.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-methyl-N-(quinoxalin-2-ylmethyl)-1-(2-thienyl)propan-1-amine (1R)-2-methyl-N-(quinoxalin-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) 4.14 7.57 -37.82 2 3 1 42 298.435 5 ↓
Mid Mid (pH 6-8) 4.14 6.19 -7.99 1 3 0 38 297.427 5 ↓

Parameters Provided:

ring.id = 550488
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 = 550488 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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