UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497809
35497809

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Popular Name: (2S)-N-(6-aminohexyl)-2-(3-benzyl-2,4-dioxo-quinazolin-1-yl)butanamide (2S)-N-(6-aminohexyl)-2-(3-benzy…

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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) 2.69 10.99 -59.28 4 7 1 101 437.564 11 ↓

Analogs

35497807
35497807

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Popular Name: (2R)-N-(6-aminohexyl)-2-(3-benzyl-2,4-dioxo-quinazolin-1-yl)butanamide (2R)-N-(6-aminohexyl)-2-(3-benzy…

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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) 2.69 10.99 -59.42 4 7 1 101 437.564 11 ↓

Analogs

35497813
35497813

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Popular Name: (2S)-N-(6-aminohexyl)-2-(3-benzyl-2,4-dioxo-quinazolin-1-yl)propanamide (2S)-N-(6-aminohexyl)-2-(3-benzy…

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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) 2.18 9.96 -59.26 4 7 1 101 423.537 10 ↓

Analogs

35497811
35497811

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Popular Name: (2R)-N-(6-aminohexyl)-2-(3-benzyl-2,4-dioxo-quinazolin-1-yl)propanamide (2R)-N-(6-aminohexyl)-2-(3-benzy…

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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) 2.18 9.95 -59.26 4 7 1 101 423.537 10 ↓

Analogs

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Popular Name: 3-[(1R)-1-(3-ethoxyphenyl)ethyl]-1H-quinazoline-2,4-dione 3-[(1R)-1-(3-ethoxyphenyl)ethyl]…

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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) 3.06 7.98 -11.2 1 5 0 64 310.353 4 ↓
Hi High (pH 8-9.5) 3.52 6.14 -50.48 0 5 -1 67 309.345 4 ↓

Analogs

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Popular Name: 3-(2-ethoxybenzyl)-2,4(1H,3H)-quinazolinedione 3-(2-ethoxybenzyl)-2,4(1H,3H)-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) 2.68 8.53 -9.85 1 5 0 64 296.326 4 ↓
Hi High (pH 8-9.5) 3.13 6.68 -45.26 0 5 -1 67 295.318 4 ↓

Analogs

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Popular Name: 3-[4-(methylsulfanyl)benzyl]-2,4(1H,3H)-quinazolinedione 3-[4-(methylsulfanyl)benzyl]-2,4…

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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) 2.73 8.02 -9.44 1 4 0 55 298.367 3 ↓
Hi High (pH 8-9.5) 3.18 6.21 -41.77 0 4 -1 58 297.359 3 ↓

Analogs

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Popular Name: 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-isopropyl-N-methyl-benzenesulfonamide 4-[(2,4-dioxo-1H-quinazolin-3-yl…

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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) 2.28 6.37 -13.92 1 7 0 92 387.461 5 ↓
Hi High (pH 8-9.5) 2.73 4.57 -43.18 0 7 -1 95 386.453 5 ↓

Analogs

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Popular Name: 1-methyl-3-(p-tolylmethyl)quinazoline-2,4-dione 1-methyl-3-(p-tolylmethyl)quinaz…

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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) 2.81 9.38 -10.19 0 4 0 44 280.327 2 ↓

Parameters Provided:

ring.id = 17481
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 = 17481 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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