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Popular Name: 3-methoxypropyl-dimethyl-(2-thienylcarbonyl)BLAHdione 3-methoxypropyl-dimethyl-(2-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) 3.30 -0.84 -10.92 0 6 0 66 450.56 6 ↓

Analogs

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Popular Name: 3-methoxypropyl-dimethyl-(2-thienylcarbonyl)BLAHdione 3-methoxypropyl-dimethyl-(2-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) 3.30 -0.95 -11.21 0 6 0 66 450.56 6 ↓

Analogs

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Popular Name: butyl-methyl-(2-thienylcarbonyl)BLAHdione butyl-methyl-(2-thienylcarbonyl)…

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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) 4.05 12.12 -15.63 0 5 0 58 420.534 5 ↓

Analogs

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Popular Name: butyl-methyl-(2-thienylcarbonyl)BLAHdione butyl-methyl-(2-thienylcarbonyl)…

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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) 4.05 12.16 -13.98 0 5 0 58 420.534 5 ↓

Analogs

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Popular Name: 2-methoxyethyl-(2-thienylcarbonyl)BLAHdione 2-methoxyethyl-(2-thienylcarbony…

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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) 2.54 9.08 -16.99 0 6 0 67 408.479 5 ↓

Analogs

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Popular Name: 2-methoxyethyl-(2-thienylcarbonyl)BLAHdione 2-methoxyethyl-(2-thienylcarbony…

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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) 2.54 9.35 -10.69 0 6 0 67 408.479 5 ↓

Analogs

8991892
8991892
8991893
8991893

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Popular Name: chloro-sec-butyl-(thiophene-2-carbonyl)BLAHdione chloro-sec-butyl-(thiophene-2-ca…

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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) 4.42 11.71 -8.74 0 5 0 58 440.952 4 ↓

Analogs

8991892
8991892
8991893
8991893

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Popular Name: chloro-sec-butyl-(thiophene-2-carbonyl)BLAHdione chloro-sec-butyl-(thiophene-2-ca…

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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) 4.42 11.7 -8.64 0 5 0 58 440.952 4 ↓

Analogs

8991943
8991943
8991945
8991945

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Popular Name: butyl-chloro-(thiophene-2-carbonyl)BLAHdione butyl-chloro-(thiophene-2-carbon…

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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) 4.65 11.6 -9.14 0 5 0 58 440.952 5 ↓

Analogs

8991943
8991943
8991945
8991945

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Popular Name: butyl-chloro-(thiophene-2-carbonyl)BLAHdione butyl-chloro-(thiophene-2-carbon…

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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) 4.65 11.54 -10.53 0 5 0 58 440.952 5 ↓

Analogs

8993058
8993058
8993060
8993060

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Popular Name: tert-butyl-(thiophene-2-carbonyl)BLAHdione tert-butyl-(thiophene-2-carbonyl…

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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) 3.74 10.61 -9.42 0 5 0 58 406.507 3 ↓

Analogs

8993058
8993058
8993060
8993060

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Popular Name: tert-butyl-(thiophene-2-carbonyl)BLAHdione tert-butyl-(thiophene-2-carbonyl…

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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) 3.74 10.55 -10.47 0 5 0 58 406.507 3 ↓

Parameters Provided:

ring.id = 7065
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 = 7065 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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