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Popular Name: 4-(1,3-dioxoisoindolin-2-yl)butyl-fluoro-oxo-BLAHcarbonitrile 4-(1,3-dioxoisoindolin-2-yl)buty…

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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) 4.52 15.36 -17.94 0 8 0 112 536.515 5 ↓

Analogs

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Popular Name: 2-[4-(fluoro-dimethoxy-oxo-BLAHyl)butyl]isoindoline-1,3-dione 2-[4-(fluoro-dimethoxy-oxo-BLAHy…

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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) 4.41 14.12 -20.29 0 9 0 106 571.557 7 ↓

Analogs

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Popular Name: fluoro-oxo-(3-thienyl)BLAHcarbonitrile fluoro-oxo-(3-thienyl)BLAHcarbon…

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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) 3.44 12.32 -10.69 0 5 0 72 417.417 1 ↓

Analogs

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Popular Name: 2-[4-[trimethoxy(oxo)BLAHyl]butyl]isoindoline-1,3-dione 2-[4-[trimethoxy(oxo)BLAHyl]buty…

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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) 5.28 13.37 -23.16 0 10 0 115 583.593 8 ↓

Analogs

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Popular Name: 2-[4-(oxoBLAHyl)butyl]isoindoline-1,3-dione 2-[4-(oxoBLAHyl)butyl]isoindolin…

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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) 5.62 14.87 -19.86 0 7 0 88 493.515 5 ↓

Analogs

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Popular Name: methoxy-(4-methoxyphenyl)-oxo-BLAHcarbonitrile methoxy-(4-methoxyphenyl)-oxo-BL…

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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) 4.78 11.98 -14.03 0 7 0 91 453.45 3 ↓

Analogs

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Popular Name: methoxy-(4-methoxyphenyl)BLAHone methoxy-(4-methoxyphenyl)BLAHone

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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) 5.05 11.61 -13.67 0 6 0 67 428.44 3 ↓

Analogs

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Popular Name: 3-thienylBLAHone 3-thienylBLAHone

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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) 4.54 11.88 -13.08 0 4 0 49 374.417 1 ↓

Analogs

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Popular Name: methoxy-oxo-(3-thienyl)BLAHcarbonitrile methoxy-oxo-(3-thienyl)BLAHcarbo…

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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) 4.31 11.54 -12.89 0 6 0 82 429.453 2 ↓

Analogs

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Popular Name: 4-(1,3-dioxoisoindolin-2-yl)butyl-oxo-BLAHcarbonitrile 4-(1,3-dioxoisoindolin-2-yl)buty…

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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) 5.35 15.25 -19.97 0 8 0 112 518.525 5 ↓

Analogs

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Popular Name: dimethoxy-(4-methoxyphenyl)BLAHone dimethoxy-(4-methoxyphenyl)BLAHone

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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) 4.64 11.48 -16.06 0 7 0 76 458.466 4 ↓

Analogs

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Popular Name: oxo(3-thienyl)BLAHcarbonitrile oxo(3-thienyl)BLAHcarbonitrile

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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) 4.28 12.25 -12.95 0 5 0 72 399.427 1 ↓

Analogs

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Popular Name: 2-[4-[dimethoxy(oxo)BLAHyl]butyl]isoindoline-1,3-dione 2-[4-[dimethoxy(oxo)BLAHyl]butyl…

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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) 5.24 14.06 -22.84 0 9 0 106 553.567 7 ↓

Analogs

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Popular Name: methoxy(3-thienyl)BLAHone methoxy(3-thienyl)BLAHone

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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) 4.58 11.17 -12.7 0 5 0 58 404.443 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 471502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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