UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12040484
12040484

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Popular Name: 2-oxo-N-[[(2R)-5-[3-(trifluoromethoxy)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]-1H-quinazoline-4-ca 2-oxo-N-[[(2R)-5-[3-(trifluorome…

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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) 4.99 6.79 -19.33 2 7 0 93 481.43 6 ↓

Analogs

12040478
12040478

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Popular Name: 2-oxo-N-[[(2S)-5-[3-(trifluoromethoxy)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]-1H-quinazoline-4-ca 2-oxo-N-[[(2S)-5-[3-(trifluorome…

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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) 4.99 6.77 -19.5 2 7 0 93 481.43 6 ↓

Analogs

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Popular Name: 7-Bromoquinazolin-2(1H)-one 7-Bromoquinazolin-2(1H)-one

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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) 2.42 2.1 -23.75 1 3 0 50 225.045 0 ↓
Hi High (pH 8-9.5) 2.42 0.16 -51.81 0 3 -1 49 224.037 0 ↓

Parameters Provided:

ring.id = 85928
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 = 85928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=85928&filter.purchasability=annotated

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