UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2786214
2786214
2786304
2786304
2786305
2786305

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Popular Name: (2S)-3-[(E)-(3,4,5-trimethoxybenzylidene)amino]-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-o (2S)-3-[(E)-(3,4,5-trimethoxyben…

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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) 3.31 8.7 -26.56 1 10 0 100 507.543 9 ↓

Analogs

2786304
2786304
2786305
2786305
2786212
2786212

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-(3,4,5-trimethoxybenzylidene)amino]-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-o (2R)-3-[(E)-(3,4,5-trimethoxyben…

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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) 3.31 8.59 -25.3 1 10 0 100 507.543 9 ↓

Analogs

2786305
2786305
16225599
16225599
2786212
2786212
2786214
2786214

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Popular Name: (2S)-2-(3,4-dimethoxyphenyl)-3-[(E)-veratrylideneamino]-1,2-dihydroquinazolin-4-one (2S)-2-(3,4-dimethoxyphenyl)-3-[…

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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) 3.34 8.79 -21.13 1 8 0 82 447.491 7 ↓

Analogs

16225599
16225599
2786212
2786212
2786214
2786214

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,4-dimethoxyphenyl)-3-[(E)-veratrylideneamino]-1,2-dihydroquinazolin-4-one (2R)-2-(3,4-dimethoxyphenyl)-3-[…

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) 3.34 1.13 -21.14 1 8 0 81 447.491 7 ↓

Parameters Provided:

ring.id = 235444
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 = 235444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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