UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41820303
41820303

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Popular Name: 3-ethyl-N-[(1S)-3-(2-furyl)-1-methyl-propyl]-4-oxo-2-sulfanyl-quinazoline-7-carboxamide 3-ethyl-N-[(1S)-3-(2-furyl)-1-me…

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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) 2.70 7.72 -43.76 1 6 -1 83 370.454 6 ↓
Mid Mid (pH 6-8) 2.25 8.99 -15.2 2 6 0 80 371.462 6 ↓

Analogs

41820301
41820301

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Popular Name: 3-ethyl-N-[(1R)-3-(2-furyl)-1-methyl-propyl]-4-oxo-2-sulfanyl-quinazoline-7-carboxamide 3-ethyl-N-[(1R)-3-(2-furyl)-1-me…

Find On: PubMed — Wikipedia — Google

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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) 2.70 7.72 -43.08 1 6 -1 83 370.454 6 ↓
Mid Mid (pH 6-8) 2.25 8.99 -14.23 2 6 0 80 371.462 6 ↓

Parameters Provided:

ring.id = 580314
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 = 580314 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=580314&filter.purchasability=annotated

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