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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39851493
39851493
40066577
40066577
40562284
40562284
40562288
40562288

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Popular Name: 6-(benzylamino)-5-[(Z)-(3-isopentyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo- 6-(benzylamino)-5-[(Z)-(3-isopen…

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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 14.19 -17.62 1 6 0 80 466.632 7 ↓

Analogs

39851349
39851349
40066423
40066423

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(benzylamino)-1-ethyl-5-[(Z)-(3-isopentyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-4-methyl-2- 6-(benzylamino)-1-ethyl-5-[(Z)-(…

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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) 4.02 15.07 -16.97 1 6 0 80 480.659 8 ↓

Analogs

39851494
39851494
39851495
39851495
40066579
40066579
40066580
40066580
40562290
40562290

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Popular Name: 5-[(Z)-(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-6-(p-tolylmethylamin 5-[(Z)-(3-hexyl-4-oxo-2-thioxo-t…

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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) 4.89 15.87 -17.04 1 6 0 80 494.686 9 ↓

Analogs

39851501
39851501
40066586
40066586

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Popular Name: 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-6-(p-toly 5-[(Z)-[3-(2-methoxyethyl)-4-oxo…

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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) 2.43 11.34 -20.34 1 7 0 89 468.604 7 ↓

Analogs

38731612
38731612

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-6-(p-tol 5-[(Z)-[3-(3-methoxypropyl)-4-ox…

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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) 2.70 11.95 -20.48 1 7 0 89 482.631 8 ↓

Analogs

39851502
39851502
39851515
39851515
40066587
40066587
40066600
40066600
38731609
38731609

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-6-(p-toly 5-[(Z)-[3-(3-ethoxypropyl)-4-oxo…

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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) 3.07 13.57 -18.5 1 7 0 89 496.658 9 ↓

Parameters Provided:

ring.id = 598003
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 = 598003 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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