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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2R)-2-[2-(difluoromethoxy)phenyl]-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2R)-2-[2-(difluoromethoxy)pheny…

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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) 3.59 8.77 -13.95 1 5 0 54 367.355 4 ↓
Lo Low (pH 4.5-6) 3.59 9.22 -43.75 2 5 1 56 368.363 4 ↓

Analogs

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Popular Name: (2S)-2-[2-(difluoromethoxy)phenyl]-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2S)-2-[2-(difluoromethoxy)pheny…

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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) 3.59 8.78 -13.96 1 5 0 54 367.355 4 ↓
Lo Low (pH 4.5-6) 3.59 9.23 -43.81 2 5 1 56 368.363 4 ↓

Analogs

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Popular Name: (2R)-2-[4-(difluoromethoxy)-3-methoxy-phenyl]-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2R)-2-[4-(difluoromethoxy)-3-me…

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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) 3.23 8.13 -18.21 1 6 0 64 397.381 5 ↓
Lo Low (pH 4.5-6) 3.23 8.59 -47.16 2 6 1 65 398.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(difluoromethoxy)-3-methoxy-phenyl]-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2S)-2-[4-(difluoromethoxy)-3-me…

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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) 3.23 8.13 -18.14 1 6 0 64 397.381 5 ↓
Lo Low (pH 4.5-6) 3.23 8.59 -47.16 2 6 1 65 398.389 5 ↓

Analogs

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Popular Name: (2R)-2-(2-prop-2-ynoxyphenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2R)-2-(2-prop-2-ynoxyphenyl)-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) 3.19 9.97 -11.64 1 5 0 54 355.397 4 ↓
Lo Low (pH 4.5-6) 3.19 10.43 -40.14 2 5 1 56 356.405 4 ↓

Analogs

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Popular Name: (2S)-2-(2-prop-2-ynoxyphenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2S)-2-(2-prop-2-ynoxyphenyl)-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) 3.19 9.98 -11.69 1 5 0 54 355.397 4 ↓
Lo Low (pH 4.5-6) 3.19 10.44 -40.07 2 5 1 56 356.405 4 ↓

Analogs

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Popular Name: (2R)-2-[3-(difluoromethoxy)-4-methoxy-phenyl]-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2R)-2-[3-(difluoromethoxy)-4-me…

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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) 3.23 8.13 -14.74 1 6 0 64 397.381 5 ↓
Lo Low (pH 4.5-6) 3.23 8.59 -46.17 2 6 1 65 398.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(difluoromethoxy)-4-methoxy-phenyl]-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2S)-2-[3-(difluoromethoxy)-4-me…

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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) 3.23 8.13 -14.74 1 6 0 64 397.381 5 ↓
Lo Low (pH 4.5-6) 3.23 8.59 -46.16 2 6 1 65 398.389 5 ↓

Analogs

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Popular Name: (2R)-2-[4-(methylamino)-3-nitro-phenyl]-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2R)-2-[4-(methylamino)-3-nitro-…

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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) 2.77 8.4 -13.53 2 8 0 103 375.388 4 ↓
Lo Low (pH 4.5-6) 2.77 8.86 -49.18 3 8 1 104 376.396 4 ↓

Analogs

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Popular Name: (2S)-2-[4-(methylamino)-3-nitro-phenyl]-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2S)-2-[4-(methylamino)-3-nitro-…

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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) 2.77 8.4 -13.53 2 8 0 103 375.388 4 ↓
Lo Low (pH 4.5-6) 2.77 8.85 -48.89 3 8 1 104 376.396 4 ↓

Analogs

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Popular Name: (2R)-2-(4-allyloxy-3-methoxy-phenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2R)-2-(4-allyloxy-3-methoxy-phe…

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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) 3.31 9.35 -15.69 1 6 0 64 387.439 6 ↓
Lo Low (pH 4.5-6) 3.31 9.81 -46.85 2 6 1 65 388.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-allyloxy-3-methoxy-phenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2S)-2-(4-allyloxy-3-methoxy-phe…

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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) 3.31 9.35 -15.76 1 6 0 64 387.439 6 ↓
Lo Low (pH 4.5-6) 3.31 9.81 -47.13 2 6 1 65 388.447 6 ↓

Analogs

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Popular Name: (2R)-2-(3-chloro-4,5-dihydroxy-phenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2R)-2-(3-chloro-4,5-dihydroxy-p…

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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) 2.89 4.25 -16.36 3 6 0 86 367.792 2 ↓
Hi High (pH 8-9.5) 2.89 5.17 -51.39 2 6 -1 89 366.784 2 ↓
Lo Low (pH 4.5-6) 2.89 4.71 -45.5 4 6 1 87 368.8 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-chloro-4,5-dihydroxy-phenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2S)-2-(3-chloro-4,5-dihydroxy-p…

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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) 2.89 4.26 -17.3 3 6 0 86 367.792 2 ↓
Hi High (pH 8-9.5) 2.89 5.18 -51.73 2 6 -1 89 366.784 2 ↓
Lo Low (pH 4.5-6) 2.89 4.72 -47.61 4 6 1 87 368.8 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-methoxy-3-methyl-phenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2R)-2-(4-methoxy-3-methyl-pheny…

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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) 3.46 8.69 -13.58 1 5 0 54 345.402 3 ↓
Lo Low (pH 4.5-6) 3.46 9.14 -43.4 2 5 1 56 346.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-methoxy-3-methyl-phenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2S)-2-(4-methoxy-3-methyl-pheny…

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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) 3.46 8.69 -13.58 1 5 0 54 345.402 3 ↓
Lo Low (pH 4.5-6) 3.46 9.14 -43.47 2 5 1 56 346.41 3 ↓

Analogs

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Popular Name: (2R)-2-(4-but-3-ynoxyphenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2R)-2-(4-but-3-ynoxyphenyl)-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) 3.51 10.19 -14.35 1 5 0 54 369.424 5 ↓
Lo Low (pH 4.5-6) 3.51 10.65 -43.54 2 5 1 56 370.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-but-3-ynoxyphenyl)-3-(4-pyridyl)-1,2-dihydroquinazolin-4-one (2S)-2-(4-but-3-ynoxyphenyl)-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) 3.51 10.19 -14.28 1 5 0 54 369.424 5 ↓
Lo Low (pH 4.5-6) 3.51 10.65 -43.5 2 5 1 56 370.432 5 ↓

Parameters Provided:

ring.id = 145622
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 = 145622 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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