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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

6130207
6130207

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Popular Name: N-[(E)-(2-ketoindolin-3-ylidene)amino]-2-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)aceta N-[(E)-(2-ketoindolin-3-ylidene)…

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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 9.35 -24.47 2 8 0 109 443.488 4 ↓
Hi High (pH 8-9.5) 3.52 7.34 -72 1 8 -1 112 442.48 4 ↓
Hi High (pH 8-9.5) 3.52 7.61 -56.04 1 8 -1 112 442.48 4 ↓

Analogs

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Popular Name: 2-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(2-keto-1-propyl-indolin-3-ylidene)a 2-(4-keto-6-methyl-5-phenyl-thie…

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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) 4.01 13.03 -24.79 1 8 0 98 485.569 6 ↓

Analogs

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Popular Name: N-[(Z)-(1-hexyl-2-keto-indolin-3-ylidene)amino]-2-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3 N-[(Z)-(1-hexyl-2-keto-indolin-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) 5.58 15.37 -24.76 1 8 0 98 527.65 9 ↓

Analogs

6130207
6130207

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Popular Name: N-[(Z)-(2-keto-1-methyl-indolin-3-ylidene)amino]-2-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin- N-[(Z)-(2-keto-1-methyl-indolin-…

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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) 3.13 11.34 -25.1 1 8 0 98 457.515 4 ↓

Analogs

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Popular Name: N-[(Z)-(1-hexyl-2-keto-indolin-3-ylidene)amino]-2-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)aceta N-[(Z)-(1-hexyl-2-keto-indolin-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) 5.36 14.61 -24.52 1 8 0 98 513.623 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(Z)-(2-keto-1-methyl-indolin-3-ylidene)amino]-2-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acet N-[(Z)-(2-keto-1-methyl-indolin-…

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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) 2.91 10.58 -24.67 1 8 0 98 443.488 4 ↓

Analogs

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Popular Name: N-[(E)-(2-ketoindolin-3-ylidene)amino]-2-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]acetamide N-[(E)-(2-ketoindolin-3-ylidene)…

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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) 3.29 9.24 -24.31 2 8 0 109 443.488 4 ↓
Hi High (pH 8-9.5) 3.75 7.22 -71.01 1 8 -1 112 442.48 4 ↓
Hi High (pH 8-9.5) 3.75 7.49 -56.35 1 8 -1 112 442.48 4 ↓

Analogs

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Popular Name: N-[(Z)-(2-keto-7-methyl-indolin-3-ylidene)amino]-2-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]ac N-[(Z)-(2-keto-7-methyl-indolin-…

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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) 3.69 9.9 -23.87 2 8 0 109 457.515 4 ↓
Hi High (pH 8-9.5) 4.15 8.14 -56.94 1 8 -1 112 456.507 4 ↓

Analogs

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Popular Name: N-[(Z)-(2-keto-1-propyl-indolin-3-ylidene)amino]-2-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]ac N-[(Z)-(2-keto-1-propyl-indolin-…

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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) 4.24 12.94 -24.59 1 8 0 98 485.569 6 ↓

Analogs

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Popular Name: N-[(Z)-(2-keto-1-methyl-indolin-3-ylidene)amino]-2-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]ac N-[(Z)-(2-keto-1-methyl-indolin-…

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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) 3.36 11.23 -25.03 1 8 0 98 457.515 4 ↓

Parameters Provided:

ring.id = 229247
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 = 229247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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