UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5E)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-[(4-propoxyphenyl)methylene]thiazol-4-one (5E)-2-[(2R,6S)-2,6-dimethylmorp…

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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) 3.77 7.98 -13.34 0 5 0 52 360.479 5 ↓
Lo Low (pH 4.5-6) 3.77 8.95 -32.71 1 5 1 53 361.487 5 ↓

Analogs

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Popular Name: (5E)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-morpholino-thiazol-4-one (5E)-5-[(4-hydroxy-3-nitro-pheny…

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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) 1.78 4.2 -15.85 1 8 0 108 335.341 3 ↓

Analogs

4486142
4486142

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Popular Name: 5-[4-(dimethylamino)benzylidene]-2-(2,6-dimethyl-4-morpholinyl)-1,3-thiazol-4(5H)-one 5-[4-(dimethylamino)benzylidene]…

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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) 2.94 7.42 -14.03 0 5 0 46 345.468 3 ↓

Analogs

5696358
5696358

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Popular Name: (5Z)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-[(4-methoxyphenyl)methylene]thiazol-4-one (5Z)-2-[(2R,6S)-2,6-dimethylmorp…

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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) 2.89 5.93 -14.34 0 5 0 52 332.425 3 ↓
Lo Low (pH 4.5-6) 2.89 6.86 -29.9 1 5 1 53 333.433 3 ↓

Analogs

4349464
4349464

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Popular Name: (5Z)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-[(2-fluorophenyl)methylene]thiazol-4-one (5Z)-2-[(2R,6S)-2,6-dimethylmorp…

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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) 2.95 6.7 -14.94 0 4 0 42 320.389 2 ↓
Lo Low (pH 4.5-6) 2.95 7.63 -31.04 1 4 1 44 321.397 2 ↓

Analogs

16713730
16713730
4145271
4145271
4145273
4145273

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Popular Name: (5Z)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-[(4-ethoxy-3-methoxy-phenyl)methylene]thiazol-4-one (5Z)-2-[(2R,6S)-2,6-dimethylmorp…

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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) 2.86 6.73 -15.76 0 6 0 61 376.478 5 ↓
Lo Low (pH 4.5-6) 2.86 7.71 -33.91 1 6 1 62 377.486 5 ↓

Analogs

373576
373576
32119
32119

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Popular Name: (5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-morpholino-thiazol-4-one (5Z)-5-[(4-ethoxy-3-methoxy-phen…

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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) 2.13 5.21 -16.65 0 6 0 61 348.424 5 ↓

Analogs

5898424
5898424
4548844
4548844

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Popular Name: 5-(3,4-dimethoxybenzylidene)-2-(2,6-dimethyl-4-morpholinyl)-1,3-thiazol-4(5H)-one 5-(3,4-dimethoxybenzylidene)-2-(…

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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) 2.48 5.86 -16.08 0 6 0 61 362.451 4 ↓
Lo Low (pH 4.5-6) 2.48 6.8 -33.92 1 6 1 62 363.459 4 ↓

Analogs

373611
373611

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Popular Name: 2-(2,6-dimethyl-4-morpholinyl)-5-(4-fluorobenzylidene)-1,3-thiazol-4(5H)-one 2-(2,6-dimethyl-4-morpholinyl)-5…

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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) 3.00 6.66 -13.17 0 4 0 42 320.389 2 ↓
Lo Low (pH 4.5-6) 3.00 7.59 -31.31 1 4 1 44 321.397 2 ↓

Parameters Provided:

ring.id = 42505
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 = 42505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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