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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: 3-allyl-1'-benzyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-allyl-1'-benzyl-spiro[1H-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) 3.10 10.76 -55.52 2 4 1 37 348.47 4 ↓
Hi High (pH 8-9.5) 3.10 8.53 -9.51 1 4 0 36 347.462 4 ↓

Analogs

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Popular Name: 1'-[(2-chloro-6-fluoro-phenyl)methyl]-8-methyl-spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-[(2-chloro-6-fluoro-phenyl)me…

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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) 2.89 8.85 -42.07 3 4 1 46 374.867 2 ↓
Mid Mid (pH 6-8) 2.89 6.6 -9.95 2 4 0 44 373.859 2 ↓

Analogs

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Popular Name: 4-[(6-chloro-3-ethyl-4-oxo-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)methyl]benzonitrile 4-[(6-chloro-3-ethyl-4-oxo-spiro…

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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) 3.24 10.64 -66.62 2 5 1 61 395.914 3 ↓
Mid Mid (pH 6-8) 3.24 8.37 -13.62 1 5 0 59 394.906 3 ↓

Analogs

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Popular Name: 4-[(3-isobutyl-4-oxo-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)methyl]benzonitrile 4-[(3-isobutyl-4-oxo-spiro[1H-qu…

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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) 3.33 11.44 -65.34 2 5 1 61 389.523 4 ↓
Mid Mid (pH 6-8) 3.33 9.1 -12.96 1 5 0 59 388.515 4 ↓

Analogs

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Popular Name: 4-[(7-chloro-4-oxo-spiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)methyl]benzonitrile 4-[(7-chloro-4-oxo-spiro[1,3-dih…

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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) 3.09 8.55 -63.18 3 5 1 69 367.86 2 ↓
Mid Mid (pH 6-8) 3.09 6.31 -11.65 2 5 0 68 366.852 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-chloro-3-methyl-4-oxo-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)methyl]benzonitrile 4-[(6-chloro-3-methyl-4-oxo-spir…

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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) 2.86 9.77 -65.36 2 5 1 61 381.887 2 ↓
Mid Mid (pH 6-8) 2.86 7.5 -13.51 1 5 0 59 380.879 2 ↓

Parameters Provided:

ring.id = 265526
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 = 265526 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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