UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-3-allyl-2-[4-(4-pyridylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2R)-3-allyl-2-[4-(4-pyridylmeth…

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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) 3.15 10.23 -14.97 1 5 0 54 371.44 6 ↓
Lo Low (pH 4.5-6) 3.15 10.69 -45 2 5 1 56 372.448 6 ↓

Analogs

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Popular Name: (2S)-3-allyl-2-[4-(4-pyridylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2S)-3-allyl-2-[4-(4-pyridylmeth…

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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) 3.15 9.38 -14.91 1 5 0 54 371.44 6 ↓
Lo Low (pH 4.5-6) 3.15 9.83 -44.11 2 5 1 56 372.448 6 ↓

Analogs

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Popular Name: (2S)-1-methyl-2-[4-(4-pyridylmethoxy)phenyl]-2,3-dihydroquinazolin-4-one (2S)-1-methyl-2-[4-(4-pyridylmet…

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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) 2.98 8.73 -13.97 1 5 0 54 345.402 4 ↓
Lo Low (pH 4.5-6) 2.98 9.19 -43.2 2 5 1 56 346.41 4 ↓

Analogs

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Popular Name: (2R)-1-methyl-2-[4-(4-pyridylmethoxy)phenyl]-2,3-dihydroquinazolin-4-one (2R)-1-methyl-2-[4-(4-pyridylmet…

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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) 2.98 8.69 -13.86 1 5 0 54 345.402 4 ↓
Lo Low (pH 4.5-6) 2.98 9.15 -43.1 2 5 1 56 346.41 4 ↓

Analogs

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Popular Name: (2R)-7-chloro-3-methyl-2-[4-(4-pyridylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-methyl-2-[4-(4-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) 3.16 9.26 -13.33 1 5 0 54 379.847 4 ↓
Lo Low (pH 4.5-6) 3.16 9.72 -42.96 2 5 1 56 380.855 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-7-chloro-3-methyl-2-[4-(4-pyridylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-methyl-2-[4-(4-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) 3.16 9.26 -13.39 1 5 0 54 379.847 4 ↓
Lo Low (pH 4.5-6) 3.16 9.72 -42.93 2 5 1 56 380.855 4 ↓

Parameters Provided:

ring.id = 123671
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 = 123671 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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