UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4Z)-4-[(6-methoxy-2-morpholino-3-quinolyl)methylene]-2-phenyl-oxazol-5-one (4Z)-4-[(6-methoxy-2-morpholino-…

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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) 3.57 8.64 -10.4 0 7 0 78 415.449 4 ↓

Analogs

14249152
14249152
15263501
15263501

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Popular Name: (4E)-2-(3-methoxyphenyl)-4-[(2-morpholino-3-quinolyl)methylene]oxazol-5-one (4E)-2-(3-methoxyphenyl)-4-[(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) 3.57 7.48 -11.93 0 7 0 78 415.449 4 ↓
Lo Low (pH 4.5-6) 3.57 7.73 -32.56 1 7 1 79 416.457 4 ↓

Analogs

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Popular Name: (4Z)-2-(4-fluorophenyl)-4-[(2-morpholino-3-quinolyl)methylene]oxazol-5-one (4Z)-2-(4-fluorophenyl)-4-[(2-mo…

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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) 3.70 9.39 -10.24 0 6 0 68 403.413 3 ↓

Analogs

19848216
19848216
19848434
19848434
1158397
1158397

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Popular Name: (4E)-4-[(8-methyl-2-morpholino-3-quinolyl)methylene]-2-phenyl-2-oxazolin-5-one (4E)-4-[(8-methyl-2-morpholino-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) 3.94 -2.39 -10.17 0 6 0 68 399.45 3 ↓

Analogs

23716101
23716101

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Popular Name: (4Z)-2-(2-fluorophenyl)-4-[(2-morpholino-3-quinolyl)methylene]oxazol-5-one (4Z)-2-(2-fluorophenyl)-4-[(2-mo…

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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) 3.65 9.67 -11.81 0 6 0 68 403.413 3 ↓

Analogs

15263501
15263501
22751702
22751702

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(3-methoxyphenyl)-4-[(2-morpholino-3-quinolyl)methylene]oxazol-5-one (4Z)-2-(3-methoxyphenyl)-4-[(2-m…

Find On: PubMed — Wikipedia — Google

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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) 3.57 8.65 -12.65 0 7 0 78 415.449 4 ↓

Parameters Provided:

ring.id = 56948
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 = 56948 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=56948&filter.purchasability=annotated

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