UCSF
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Analogs

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Popular Name: 3-[4-[(2R)-6-chloro-3-methyl-4-oxo-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile 3-[4-[(2R)-6-chloro-3-methyl-4-o…

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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) 2.31 10.37 -16.72 1 6 0 74 391.862 4 ↓

Analogs

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Popular Name: 3-[4-[(2S)-6-chloro-3-methyl-4-oxo-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile 3-[4-[(2S)-6-chloro-3-methyl-4-o…

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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) 2.31 10.03 -14.23 1 6 0 74 391.862 4 ↓

Analogs

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Popular Name: 3-[4-[(2R)-7-chloro-3-methyl-4-oxo-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile 3-[4-[(2R)-7-chloro-3-methyl-4-o…

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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) 2.31 10.39 -15.49 1 6 0 74 391.862 4 ↓

Analogs

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Popular Name: 3-[4-[(2S)-7-chloro-3-methyl-4-oxo-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile 3-[4-[(2S)-7-chloro-3-methyl-4-o…

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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) 2.31 10.04 -12.58 1 6 0 74 391.862 4 ↓

Analogs

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Popular Name: (2R)-7-chloro-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1,2-dihydroquinazolin-4-one (2R)-7-chloro-2-[3-(4-fluorophen…

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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) 2.94 7.8 -12.02 2 5 0 61 356.788 2 ↓

Analogs

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Popular Name: (2S)-7-chloro-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1,2-dihydroquinazolin-4-one (2S)-7-chloro-2-[3-(4-fluorophen…

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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) 2.94 7.43 -9.43 2 5 0 61 356.788 2 ↓

Analogs

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Popular Name: (2R)-6-chloro-2-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3-methyl-1,2-dihydroquinazolin-4-one (2R)-6-chloro-2-[3-(4-methoxyphe…

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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) 2.84 7.01 -13.13 2 6 0 70 368.824 3 ↓

Analogs

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Popular Name: (2S)-6-chloro-2-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3-methyl-1,2-dihydroquinazolin-4-one (2S)-6-chloro-2-[3-(4-methoxyphe…

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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) 2.84 6.65 -11.35 2 6 0 70 368.824 3 ↓

Analogs

41863660
41863660

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Popular Name: 3-[4-[(2R)-4-oxo-2,3-dihydro-1H-quinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile 3-[4-[(2R)-4-oxo-2,3-dihydro-1H-…

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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) 1.88 7.36 -13.94 2 6 0 83 343.39 4 ↓

Analogs

41863659
41863659

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Popular Name: 3-[4-[(2S)-4-oxo-2,3-dihydro-1H-quinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile 3-[4-[(2S)-4-oxo-2,3-dihydro-1H-…

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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) 1.88 7.36 -13.93 2 6 0 83 343.39 4 ↓

Analogs

41863715
41863715

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Popular Name: 3-[4-[(2R)-3-isobutyl-4-oxo-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile 3-[4-[(2R)-3-isobutyl-4-oxo-1,2-…

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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) 2.77 12.15 -15.79 1 6 0 74 399.498 6 ↓

Analogs

41863714
41863714

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Popular Name: 3-[4-[(2S)-3-isobutyl-4-oxo-1,2-dihydroquinazolin-2-yl]-3-phenyl-pyrazol-1-yl]propanenitrile 3-[4-[(2S)-3-isobutyl-4-oxo-1,2-…

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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) 2.77 11.41 -12.65 1 6 0 74 399.498 6 ↓

Analogs

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Popular Name: (2R)-8-methyl-2-[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-8-methyl-2-[1-methyl-3-(4-n…

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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) 1.84 7.51 -13.68 2 8 0 105 363.377 3 ↓

Analogs

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Popular Name: (2S)-6-chloro-3-methyl-2-[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2S)-6-chloro-3-methyl-2-[1-meth…

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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) 2.81 9.34 -14.38 1 8 0 96 397.822 3 ↓

Parameters Provided:

ring.id = 123698
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 = 123698 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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