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

Analogs

34378498
34378498

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Popular Name: 3-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(p-tolylamino)ethyl]indolin-3-ylidene]-2-thioxo-thiazolidin-3-yl]p 3-[(5Z)-4-oxo-5-[2-oxo-1-[2-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) 2.50 10.87 -59.5 1 8 -1 113 480.547 6 ↓

Analogs

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Popular Name: 2-[(3Z)-3-[3-[(2S)-2-ethylhexyl]-4-oxo-2-thioxo-thiazolidin-5-ylidene]-2-oxo-indolin-1-yl]-N-(m-toly 2-[(3Z)-3-[3-[(2S)-2-ethylhexyl]…

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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) 6.15 15.04 -16.4 1 6 0 73 521.708 9 ↓

Analogs

16730525
16730525
16730531
16730531
16730537
16730537
16730696
16730696
16730854
16730854

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Popular Name: 2-[(3E)-3-(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-2-keto-indolin-1-yl]-N-phenyl-acetamide 2-[(3E)-3-(3-hexyl-4-keto-2-thio…

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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) 4.98 14.9 -19.97 1 6 0 73 479.627 8 ↓

Analogs

16730525
16730525
16730531
16730531
16730537
16730537
16730696
16730696
16730854
16730854

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-2-keto-indolin-1-yl]-N-phenyl-acetamide 2-[(3Z)-3-(3-hexyl-4-keto-2-thio…

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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) 4.98 -1.27 -16.59 1 6 0 73 479.627 8 ↓

Analogs

16730703
16730703
1242343
1242343
1305580
1305580

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Popular Name: 2-[(3Z)-2-keto-3-(4-keto-3-propyl-2-thioxo-thiazolidin-5-ylidene)indolin-1-yl]-N-phenyl-acetamide 2-[(3Z)-2-keto-3-(4-keto-3-propy…

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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) 3.41 11.21 -16.73 1 6 0 73 437.546 5 ↓

Analogs

1243480
1243480
1318113
1318113

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Popular Name: 2-[(3Z)-2-keto-3-(4-keto-3-propyl-2-thioxo-thiazolidin-5-ylidene)indolin-1-yl]-N-p-phenetyl-acetamid 2-[(3Z)-2-keto-3-(4-keto-3-propy…

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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) 3.84 -1.62 -17.62 1 7 0 82 481.599 7 ↓

Parameters Provided:

ring.id = 145463
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 = 145463 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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