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

4003268
4003268

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-dimethyl-3-thienyl)-2,7,7-trimethyl-5-oxo-N-(2-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxa 4-(2,5-dimethyl-3-thienyl)-2,7,7…

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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) 3.73 11.43 -30.01 2 5 0 71 421.566 3 ↓
Mid Mid (pH 6-8) 3.68 -1.91 -16.43 1 5 0 71 421.566 3 ↓
Lo Low (pH 4.5-6) 3.68 -1.82 -29.79 2 5 1 72 422.574 3 ↓

Analogs

4003268
4003268

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-dimethyl-3-thienyl)-2,7,7-trimethyl-5-oxo-N-(2-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxa 4-(2,5-dimethyl-3-thienyl)-2,7,7…

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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) 3.73 11.4 -29.28 2 5 0 71 421.566 3 ↓
Lo Low (pH 4.5-6) 3.68 -1.96 -35.45 2 5 1 72 422.574 3 ↓
Lo Low (pH 4.5-6) 3.68 -1.81 -29.26 2 5 1 72 422.574 3 ↓

Analogs

4003268
4003268

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-dimethyl-3-thienyl)-2-methyl-N-(4-methyl-2-pyridyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-c 4-(2,5-dimethyl-3-thienyl)-2-met…

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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) 3.47 10.66 -25.36 2 5 0 71 407.539 3 ↓
Mid Mid (pH 6-8) 3.61 -3.24 -13.06 1 5 0 71 407.539 3 ↓
Lo Low (pH 4.5-6) 3.43 -2.06 -39.91 2 5 1 72 408.547 3 ↓

Analogs

4003268
4003268

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-dimethyl-3-thienyl)-2-methyl-N-(4-methyl-2-pyridyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-c 4-(2,5-dimethyl-3-thienyl)-2-met…

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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) 3.47 11.26 -30.1 2 5 0 71 407.539 3 ↓
Mid Mid (pH 6-8) 3.61 -3.04 -16.78 1 5 0 71 407.539 3 ↓
Lo Low (pH 4.5-6) 3.43 -2.29 -34.32 2 5 1 72 408.547 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A06090337-001-01-4 BRD-A06090337-001-01-4

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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) 2.68 9.71 -26.45 2 5 0 71 379.485 3 ↓
Mid Mid (pH 6-8) 2.82 8.26 -12.89 1 5 0 71 379.485 3 ↓
Lo Low (pH 4.5-6) 2.80 8.8 -34.23 2 5 1 73 380.493 3 ↓

Parameters Provided:

ring.id = 3430
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 = 3430 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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