UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-3-(2-furylmethyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2R)-3-(2-furylmethyl)-2-(thiadi…

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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) 1.63 5.48 -19.52 1 6 0 71 312.354 3 ↓

Analogs

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Popular Name: (2S)-3-(2-furylmethyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (2S)-3-(2-furylmethyl)-2-(thiadi…

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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) 1.63 5.74 -19.33 1 6 0 71 312.354 3 ↓

Analogs

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Popular Name: (2R)-3-(2-furylmethyl)-1-methyl-2-(thiadiazol-4-yl)-2H-quinazolin-4-one (2R)-3-(2-furylmethyl)-1-methyl-…

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Activity (Go SEA)

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 7.3 -19.61 0 6 0 62 326.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2-furylmethyl)-1-methyl-2-(thiadiazol-4-yl)-2H-quinazolin-4-one (2S)-3-(2-furylmethyl)-1-methyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.52 -18.92 0 6 0 62 326.381 3 ↓

Parameters Provided:

ring.id = 139056
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 = 139056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=139056&filter.purchasability=annotated

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