UCSF
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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 3.40 9.23 -18.38 1 6 0 60 422.525 6 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 3.40 9.78 -14.5 1 6 0 60 422.525 6 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 3.40 9.71 -14.37 1 6 0 60 422.525 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 3.40 9.86 -18.21 1 6 0 60 422.525 6 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-ethyl-2,3-dihydro-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2-ethyl-2,3…

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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) 3.90 9.84 -17.86 1 6 0 60 436.552 7 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-ethyl-2,3-dihydro-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2-ethyl-2,3…

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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) 3.90 10.21 -14.06 1 6 0 60 436.552 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-ethyl-2,3-dihydro-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2-ethyl-2,3…

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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) 3.90 10.26 -14.28 1 6 0 60 436.552 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-ethyl-2,3-dihydro-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2-ethyl-2,3…

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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) 3.90 9.99 -17.53 1 6 0 60 436.552 7 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[3-methoxy-4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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 9.19 -16.52 1 7 0 69 438.524 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[3-methoxy-4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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 9.12 -16.14 1 7 0 69 438.524 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[3-methoxy-4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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 9.32 -19.49 1 7 0 69 438.524 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[3-methoxy-4-[(tetrahydro-2-furanyl)methoxy]phenyl]-3-[(tetrahydro-2-furanyl)methyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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 9.24 -20.07 1 7 0 69 438.524 7 ↓

Parameters Provided:

ring.id = 474821
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 = 474821 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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