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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: 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(2-thienylmethyl)quinazolin-4-amine 2-(2-aminoethyl)-N-(2-methoxyeth…

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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) 2.13 7.4 -45.04 3 5 1 66 343.476 8 ↓
Hi High (pH 8-9.5) 2.13 7.01 -7.97 2 5 0 64 342.468 8 ↓
Lo Low (pH 4.5-6) 2.13 7.95 -98.23 4 5 2 67 344.484 8 ↓

Analogs

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Popular Name: 5-fluoro-N-[(3-methyl-2-thienyl)methyl]quinazolin-4-amine 5-fluoro-N-[(3-methyl-2-thienyl)…

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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) 3.31 8.36 -6.82 1 3 0 38 273.336 3 ↓
Lo Low (pH 4.5-6) 3.31 8.83 -31.16 2 3 1 39 274.344 3 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-5-fluoro-quinazolin-4-amine N-[(5-bromo-2-thienyl)methyl]-5-…

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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) 3.87 8.52 -6.1 1 3 0 38 338.205 3 ↓
Lo Low (pH 4.5-6) 3.87 8.99 -32.47 2 3 1 39 339.213 3 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-5-fluoro-quinazolin-4-amine N-[(5-chloro-2-thienyl)methyl]-5…

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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) 3.73 8.42 -6.02 1 3 0 38 293.754 3 ↓
Lo Low (pH 4.5-6) 3.73 8.88 -32.42 2 3 1 39 294.762 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)propyl]quinazolin-4-amine N-[(1S)-1-(2-thienyl)propyl]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) 3.88 9.28 -6.62 1 3 0 38 269.373 4 ↓
Lo Low (pH 4.5-6) 3.88 9.74 -28.39 2 3 1 39 270.381 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)propyl]quinazolin-4-amine N-[(1R)-1-(2-thienyl)propyl]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) 3.88 9.28 -6.64 1 3 0 38 269.373 4 ↓
Lo Low (pH 4.5-6) 3.88 9.74 -28.44 2 3 1 39 270.381 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)butyl]quinazolin-4-amine N-[(1S)-1-(2-thienyl)butyl]quina…

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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) 4.44 10.11 -7.96 1 3 0 38 283.4 5 ↓
Lo Low (pH 4.5-6) 4.44 10.57 -28.43 2 3 1 39 284.408 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)butyl]quinazolin-4-amine N-[(1R)-1-(2-thienyl)butyl]quina…

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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) 4.44 10.11 -8 1 3 0 38 283.4 5 ↓
Lo Low (pH 4.5-6) 4.44 10.57 -28.45 2 3 1 39 284.408 5 ↓

Parameters Provided:

ring.id = 299720
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 = 299720 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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