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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: (2R)-2-[2-(3-pyridylmethoxy)phenyl]-2,3-dihydro-1H-quinazolin-4-one (2R)-2-[2-(3-pyridylmethoxy)phen…

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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) 2.74 7.45 -12.69 2 5 0 63 331.375 4 ↓
Lo Low (pH 4.5-6) 2.74 7.92 -40.07 3 5 1 64 332.383 4 ↓

Analogs

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Popular Name: (2S)-2-[2-(3-pyridylmethoxy)phenyl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[2-(3-pyridylmethoxy)phen…

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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) 2.74 7.45 -15.08 2 5 0 63 331.375 4 ↓
Lo Low (pH 4.5-6) 2.74 7.92 -36.88 3 5 1 64 332.383 4 ↓

Analogs

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Popular Name: (2S)-1-methyl-2-[2-(3-pyridylmethoxy)phenyl]-2,3-dihydroquinazolin-4-one (2S)-1-methyl-2-[2-(3-pyridylmet…

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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) 2.98 9.29 -12.66 1 5 0 54 345.402 4 ↓
Lo Low (pH 4.5-6) 2.98 9.76 -39.62 2 5 1 56 346.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-methyl-2-[2-(3-pyridylmethoxy)phenyl]-2,3-dihydroquinazolin-4-one (2R)-1-methyl-2-[2-(3-pyridylmet…

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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) 2.98 9.24 -14.99 1 5 0 54 345.402 4 ↓
Lo Low (pH 4.5-6) 2.98 9.7 -36.35 2 5 1 56 346.41 4 ↓

Analogs

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Popular Name: (2R)-7-chloro-3-methyl-2-[2-(3-pyridylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-methyl-2-[2-(3-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) 3.17 9.76 -10.15 1 5 0 54 379.847 4 ↓
Lo Low (pH 4.5-6) 3.17 10.23 -46.45 2 5 1 56 380.855 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-7-chloro-3-methyl-2-[2-(3-pyridylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-methyl-2-[2-(3-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) 3.17 9.79 -9.79 1 5 0 54 379.847 4 ↓
Lo Low (pH 4.5-6) 3.17 10.26 -47.22 2 5 1 56 380.855 4 ↓

Parameters Provided:

ring.id = 138649
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 = 138649 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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