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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: 6-methoxy-N-(quinoxalin-2-ylmethyl)pyridin-3-amine 6-methoxy-N-(quinoxalin-2-ylmeth…

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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) 2.56 2.14 -9.96 1 5 0 60 266.304 4 ↓

Analogs

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Popular Name: N-(quinoxalin-2-ylmethyl)pyridin-3-amine N-(quinoxalin-2-ylmethyl)pyridin…

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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 3.68 -9.15 1 4 0 51 236.278 3 ↓
Lo Low (pH 4.5-6) 2.16 4.15 -35.79 2 4 1 52 237.286 3 ↓

Analogs

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Popular Name: N4,N4-dimethyl-N3-(quinoxalin-2-ylmethyl)pyridine-3,4-diamine N4,N4-dimethyl-N3-(quinoxalin-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) 2.19 5.32 -36.77 2 5 1 55 280.355 4 ↓

Analogs

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Popular Name: 2-chloro-N-(quinoxalin-2-ylmethyl)pyridin-3-amine 2-chloro-N-(quinoxalin-2-ylmethy…

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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) 2.96 4.2 -11.36 1 4 0 51 270.723 3 ↓

Analogs

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Popular Name: N2,N2-dimethyl-N5-(quinoxalin-2-ylmethyl)pyridine-2,5-diamine N2,N2-dimethyl-N5-(quinoxalin-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) 2.60 5.62 -32.09 2 5 1 55 280.355 4 ↓

Analogs

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Popular Name: 2-ethoxy-N-(quinoxalin-2-ylmethyl)pyridin-3-amine 2-ethoxy-N-(quinoxalin-2-ylmethy…

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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) 2.71 3.22 -10.68 1 5 0 60 280.331 5 ↓

Analogs

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Popular Name: N2,N2-dimethyl-N3-(quinoxalin-2-ylmethyl)pyridine-2,3-diamine N2,N2-dimethyl-N3-(quinoxalin-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) 2.38 6 -32.98 2 5 1 55 280.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-(quinoxalin-2-ylmethyl)pyridin-3-amine 2-methoxy-N-(quinoxalin-2-ylmeth…

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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) 2.34 2.28 -10.74 1 5 0 60 266.304 4 ↓

Parameters Provided:

ring.id = 544827
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 = 544827 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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