UCSF
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Analogs

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Popular Name: 2-[4-[(2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2R)-3-(2,3-dihydro-1,4-be…

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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) 3.57 9.4 -61.42 1 8 -1 100 445.451 5 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2S)-3-(2,3-dihydro-1,4-be…

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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) 3.57 9.39 -61.47 1 8 -1 100 445.451 5 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]-2-methoxy-phenoxy 2-[4-[(2S)-3-(2,3-dihydro-1,4-be…

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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) 3.16 9.14 -63.09 1 9 -1 109 475.477 6 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]-2-methoxy-phenoxy 2-[4-[(2R)-3-(2,3-dihydro-1,4-be…

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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) 3.16 9.15 -66.38 1 9 -1 109 475.477 6 ↓

Analogs

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Popular Name: 2-[3-[(2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2R)-3-(2,3-dihydro-1,4-be…

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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) 3.55 9.37 -55.41 1 8 -1 100 445.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2S)-3-(2,3-dihydro-1,4-be…

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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) 3.55 9.39 -53.71 1 8 -1 100 445.451 5 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenoxy] 2-[4-[(2R)-3-(2,3-dihydro-1,4-be…

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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) 2.71 9.22 -66.48 1 9 -1 109 461.45 6 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenoxy] 2-[4-[(2S)-3-(2,3-dihydro-1,4-be…

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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) 2.71 9.25 -66.38 1 9 -1 109 461.45 6 ↓

Analogs

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Popular Name: (2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (2R)-3-(2,3-dihydro-1,4-benzodio…

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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) 3.76 7.27 -13.83 2 6 0 71 374.396 2 ↓

Analogs

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Popular Name: (2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (2S)-3-(2,3-dihydro-1,4-benzodio…

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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) 3.76 7.49 -13.13 2 6 0 71 374.396 2 ↓

Analogs

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Popular Name: (2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one (2R)-3-(2,3-dihydro-1,4-benzodio…

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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) 3.94 9.88 -11.38 1 5 0 51 376.387 2 ↓

Analogs

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Popular Name: (2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one (2S)-3-(2,3-dihydro-1,4-benzodio…

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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) 3.94 9.88 -11.38 1 5 0 51 376.387 2 ↓

Parameters Provided:

ring.id = 123123
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 = 123123 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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