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

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Popular Name: 3-isobutyl-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-isobutyl-1'-(4-pyridylmethyl)s…

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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) 2.29 9.76 -61.37 2 5 1 50 365.501 4 ↓
Mid Mid (pH 6-8) 2.29 7.43 -11.42 1 5 0 48 364.493 4 ↓

Analogs

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Popular Name: 3-allyl-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-allyl-1'-(4-pyridylmethyl)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) 1.81 9 -61.89 2 5 1 50 349.458 4 ↓
Mid Mid (pH 6-8) 1.81 6.76 -11.88 1 5 0 48 348.45 4 ↓

Analogs

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Popular Name: 7-chloro-3-methyl-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 7-chloro-3-methyl-1'-(4-pyridylm…

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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) 1.82 7.62 -55.45 2 5 1 50 357.865 2 ↓
Mid Mid (pH 6-8) 1.82 5.37 -9.65 1 5 0 48 356.857 2 ↓

Analogs

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Popular Name: 6-methoxy-3-methyl-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 6-methoxy-3-methyl-1'-(4-pyridyl…

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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) 1.20 6.32 -60.93 2 6 1 59 353.446 3 ↓
Mid Mid (pH 6-8) 1.20 3.23 -18.73 1 6 0 58 352.438 3 ↓

Parameters Provided:

ring.id = 348824
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 = 348824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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