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

12537736
12537736

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Popular Name: N-[(1R)-1-(2-pyridyl)ethyl]quinazolin-4-amine N-[(1R)-1-(2-pyridyl)ethyl]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) 2.31 7.8 -8.41 1 4 0 51 250.305 3 ↓
Lo Low (pH 4.5-6) 2.31 8.14 -40.61 2 4 1 52 251.313 3 ↓

Analogs

12537735
12537735

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Popular Name: N-[(1S)-1-(2-pyridyl)ethyl]quinazolin-4-amine N-[(1S)-1-(2-pyridyl)ethyl]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) 2.31 7.8 -8.44 1 4 0 51 250.305 3 ↓
Lo Low (pH 4.5-6) 2.31 8.14 -40.6 2 4 1 52 251.313 3 ↓

Analogs

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Popular Name: 2-(2-aminoethyl)-N-[(1R)-2-methoxy-1-(2-pyridyl)ethyl]-N-methyl-quinazolin-4-amine 2-(2-aminoethyl)-N-[(1R)-2-metho…

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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) 1.25 7.08 -45.84 3 6 1 79 338.435 7 ↓
Hi High (pH 8-9.5) 1.25 6.7 -8.38 2 6 0 77 337.427 7 ↓
Lo Low (pH 4.5-6) 1.25 7.63 -99.54 4 6 2 80 339.443 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminoethyl)-N-[(1S)-2-methoxy-1-(2-pyridyl)ethyl]-N-methyl-quinazolin-4-amine 2-(2-aminoethyl)-N-[(1S)-2-metho…

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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) 1.25 6.95 -46.65 3 6 1 79 338.435 7 ↓
Hi High (pH 8-9.5) 1.25 6.57 -8.74 2 6 0 77 337.427 7 ↓
Lo Low (pH 4.5-6) 1.25 7.51 -100.24 4 6 2 80 339.443 7 ↓

Analogs

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Popular Name: 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridyl)methyl]quinazolin-4-amine 2-(2-aminoethyl)-N-[(5-ethyl-2-p…

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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) 1.75 6.05 -45.53 4 5 1 78 308.409 6 ↓
Hi High (pH 8-9.5) 1.75 5.67 -9.52 3 5 0 77 307.401 6 ↓
Lo Low (pH 4.5-6) 1.75 6.46 -92.83 5 5 2 80 309.417 6 ↓

Analogs

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Popular Name: 2-(2-aminoethyl)-N-isopropyl-N-[(3-methyl-2-pyridyl)methyl]quinazolin-4-amine 2-(2-aminoethyl)-N-isopropyl-N-[…

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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) 2.54 7.56 -45.67 3 5 1 70 336.463 6 ↓
Hi High (pH 8-9.5) 2.54 7.18 -8.71 2 5 0 68 335.455 6 ↓
Lo Low (pH 4.5-6) 2.54 8.05 -93.75 4 5 2 71 337.471 6 ↓

Parameters Provided:

ring.id = 104707
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 = 104707 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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