UCSF
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Analogs

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Popular Name: (2R)-2-(1H-imidazol-2-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (2R)-2-(1H-imidazol-2-yl)-3-(2-m…

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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) 2.42 7.68 -17.31 2 6 0 70 320.352 3 ↓
Mid Mid (pH 6-8) 2.42 7.15 -38.31 3 6 1 71 321.36 3 ↓

Analogs

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Popular Name: (2S)-2-(1H-imidazol-2-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (2S)-2-(1H-imidazol-2-yl)-3-(2-m…

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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) 2.42 6.83 -18.38 2 6 0 70 320.352 3 ↓
Mid Mid (pH 6-8) 2.42 6.75 -37.7 3 6 1 71 321.36 3 ↓

Analogs

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Popular Name: (2R)-2-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one (2R)-2-(1H-imidazol-2-yl)-3-(3-m…

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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) 2.44 6.36 -21.28 2 6 0 70 320.352 3 ↓
Mid Mid (pH 6-8) 2.44 6.96 -39.17 3 6 1 71 321.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one (2S)-2-(1H-imidazol-2-yl)-3-(3-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.44 6.35 -17.6 2 6 0 70 320.352 3 ↓
Mid Mid (pH 6-8) 2.44 6.98 -38.34 3 6 1 71 321.36 3 ↓

Parameters Provided:

ring.id = 476847
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 = 476847 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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