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Popular Name: (2S)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(5-chloro-3-methyl-1-phen…

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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) 3.05 7.95 -15.12 2 5 0 59 338.798 2 ↓

Analogs

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Popular Name: (2R)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(5-chloro-3-methyl-1-phen…

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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) 3.05 7.94 -15.22 2 5 0 59 338.798 2 ↓

Analogs

12536739
12536739

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Popular Name: (2S)-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(1-phenylpyrazol-4-yl)-2,…

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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) 2.02 6.14 -14.44 2 5 0 59 290.326 2 ↓

Analogs

12536738
12536738

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Popular Name: (2R)-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(1-phenylpyrazol-4-yl)-2,…

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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) 2.02 6.15 -14.45 2 5 0 59 290.326 2 ↓

Analogs

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Popular Name: (2R)-2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-2-[1-(4-chlorophenyl)-3,5-d…

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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) 3.14 8.7 -14.39 2 5 0 59 352.825 2 ↓

Analogs

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Popular Name: (2S)-2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[1-(4-chlorophenyl)-3,5-d…

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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) 3.14 8.64 -13.53 2 5 0 59 352.825 2 ↓

Analogs

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Popular Name: (2R)-7-chloro-3-methyl-2-(1-phenylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-methyl-2-(1-phen…

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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) 2.45 8.65 -14.06 1 5 0 50 338.798 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-7-chloro-3-methyl-2-(1-phenylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-methyl-2-(1-phen…

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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) 2.45 8.65 -14.09 1 5 0 50 338.798 2 ↓

Analogs

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Popular Name: (2R)-2-[1-(2,4-difluorophenyl)-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-2-[1-(2,4-difluorophenyl)-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) 2.93 8.38 -17.31 2 5 0 59 354.36 2 ↓

Analogs

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Popular Name: (2S)-2-[1-(2,4-difluorophenyl)-3,5-dimethyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[1-(2,4-difluorophenyl)-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) 2.93 8.33 -15.1 2 5 0 59 354.36 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.47 7.3 -10.45 2 7 0 85 362.389 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.47 7.28 -10.31 2 7 0 85 362.389 5 ↓

Analogs

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Popular Name: (2R)-6-chloro-3-methyl-2-(1-phenylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-6-chloro-3-methyl-2-(1-phen…

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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) 2.45 8.64 -16.93 1 5 0 50 338.798 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-3-methyl-2-(1-phenylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-6-chloro-3-methyl-2-(1-phen…

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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) 2.45 8.64 -16.94 1 5 0 50 338.798 2 ↓

Analogs

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Popular Name: (2R)-2-(3-methyl-1-phenyl-pyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(3-methyl-1-phenyl-pyrazo…

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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) 2.24 7.19 -16.32 2 5 0 59 304.353 2 ↓

Analogs

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Popular Name: (2S)-2-(3-methyl-1-phenyl-pyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(3-methyl-1-phenyl-pyrazo…

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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) 2.24 7.35 -16.18 2 5 0 59 304.353 2 ↓

Analogs

41863779
41863779

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Popular Name: (2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one (2R)-2-(3,5-dimethyl-1-phenyl-py…

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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 9.32 -14.08 1 5 0 50 332.407 2 ↓

Analogs

41863778
41863778

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Popular Name: (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one (2S)-2-(3,5-dimethyl-1-phenyl-py…

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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 9.57 -15.87 1 5 0 50 332.407 2 ↓

Parameters Provided:

ring.id = 95008
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 = 95008 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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