UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2410271
2410271
2410272
2410272

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Popular Name: N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methyl-butanamide N-[7-(4-fluorophenyl)-5-oxo-7,8-…

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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) 3.84 1.16 -14.41 1 5 0 71 341.386 4 ↓

Analogs

2410271
2410271
2410272
2410272

Draw Identity 99% 90% 80% 70%

Popular Name: N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methyl-butanamide N-[7-(4-fluorophenyl)-5-oxo-7,8-…

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) 3.84 1.16 -14.43 1 5 0 71 341.386 4 ↓

Analogs

2410271
2410271
2410272
2410272

Draw Identity 99% 90% 80% 70%

Popular Name: N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methyl-butanamide N-[7-(4-fluorophenyl)-5-oxo-7,8-…

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) 3.84 1.16 -14.43 1 5 0 71 341.386 4 ↓

Analogs

539021
539021

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Popular Name: 2-ethyl-N-[(7R)-5-keto-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]butyramide 2-ethyl-N-[(7R)-5-keto-7-phenyl-…

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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) 4.18 0.46 -12.76 1 5 0 71 337.423 5 ↓

Analogs

539020
539020

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Popular Name: 2-ethyl-N-[(7S)-5-keto-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]butyramide 2-ethyl-N-[(7S)-5-keto-7-phenyl-…

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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) 4.18 0.47 -13.05 1 5 0 71 337.423 5 ↓

Parameters Provided:

ring.id = 1366
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 = 1366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1366&filter.purchasability=annotated

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