UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-7-chloro-3-methyl-2-[3-(3-pyridyl)-1H-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-methyl-2-[3-(3-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) 1.71 5.84 -11.02 2 6 0 74 339.786 2 ↓

Analogs

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Popular Name: (2S)-7-chloro-3-methyl-2-[3-(3-pyridyl)-1H-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-methyl-2-[3-(3-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) 1.71 5.56 -9.37 2 6 0 74 339.786 2 ↓

Analogs

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Popular Name: (2R)-6-chloro-3-methyl-2-[3-(3-pyridyl)-1H-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2R)-6-chloro-3-methyl-2-[3-(3-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) 1.71 5.82 -12.17 2 6 0 74 339.786 2 ↓

Analogs

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Popular Name: (2S)-6-chloro-3-methyl-2-[3-(3-pyridyl)-1H-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2S)-6-chloro-3-methyl-2-[3-(3-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) 1.71 5.55 -10.62 2 6 0 74 339.786 2 ↓

Analogs

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Popular Name: (2R)-6-chloro-3-ethyl-2-[3-(3-pyridyl)-1H-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2R)-6-chloro-3-ethyl-2-[3-(3-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) 2.09 6.82 -12.22 2 6 0 74 353.813 3 ↓

Analogs

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Popular Name: (2S)-6-chloro-3-ethyl-2-[3-(3-pyridyl)-1H-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2S)-6-chloro-3-ethyl-2-[3-(3-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) 2.09 6.43 -10.49 2 6 0 74 353.813 3 ↓

Analogs

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Popular Name: (2S)-2-[1-methyl-3-(3-pyridyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[1-methyl-3-(3-pyridyl)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) 1.35 4.2 -11.4 2 6 0 72 305.341 2 ↓
Lo Low (pH 4.5-6) 1.35 4.68 -46.82 3 6 1 73 306.349 2 ↓

Analogs

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Popular Name: (2S)-3-allyl-2-[1-methyl-3-(3-pyridyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2S)-3-allyl-2-[1-methyl-3-(3-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) 1.77 7.87 -10.92 1 6 0 63 345.406 4 ↓
Lo Low (pH 4.5-6) 1.77 8.36 -47.38 2 6 1 64 346.414 4 ↓

Analogs

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Popular Name: (2R)-7-chloro-2-[1-methyl-3-(3-pyridyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-7-chloro-2-[1-methyl-3-(3-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) 2.00 4.74 -12.25 2 6 0 72 339.786 2 ↓
Lo Low (pH 4.5-6) 2.00 5.2 -46.12 3 6 1 73 340.794 2 ↓

Analogs

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Popular Name: (2S)-7-chloro-2-[1-methyl-3-(3-pyridyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-7-chloro-2-[1-methyl-3-(3-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) 2.00 4.72 -10.26 2 6 0 72 339.786 2 ↓
Lo Low (pH 4.5-6) 2.00 5.2 -46.02 3 6 1 73 340.794 2 ↓

Analogs

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Popular Name: (2R)-6-chloro-3-methyl-2-[1-methyl-3-(3-pyridyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2R)-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) 1.78 7.12 -12.93 1 6 0 63 353.813 2 ↓
Lo Low (pH 4.5-6) 1.78 7.72 -52.46 2 6 1 64 354.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-7-chloro-3-methyl-2-[1-methyl-3-(3-pyridyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2R)-7-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) 1.78 7.13 -11.84 1 6 0 63 353.813 2 ↓
Lo Low (pH 4.5-6) 1.78 7.73 -47.53 2 6 1 64 354.821 2 ↓

Analogs

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Popular Name: (2S)-7-chloro-2-[1-methyl-3-(3-pyridyl)pyrazol-4-yl]-3-propyl-1,2-dihydroquinazolin-4-one (2S)-7-chloro-2-[1-methyl-3-(3-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) 2.66 8.5 -9.52 1 6 0 63 381.867 4 ↓
Lo Low (pH 4.5-6) 2.66 8.99 -46.48 2 6 1 64 382.875 4 ↓

Parameters Provided:

ring.id = 126973
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 = 126973 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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