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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36230607
36230607

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Popular Name: 3-[(2-hydroxy-5-nitro-phenyl)methyleneamino]-2-propyl-quinazolin-4-one 3-[(2-hydroxy-5-nitro-phenyl)met…

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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) 3.53 8.89 -12.58 1 8 0 113 352.35 5 ↓

Analogs

36230607
36230607

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Popular Name: 3-[(2-hydroxy-5-methyl-3-nitro-phenyl)methyleneamino]-2-propyl-quinazolin-4-one 3-[(2-hydroxy-5-methyl-3-nitro-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) 3.69 10.39 -14.8 1 8 0 113 366.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-hydroxy-5-methyl-3-nitro-phenyl)methyleneamino]-2-methyl-quinazolin-4-one 3-[(2-hydroxy-5-methyl-3-nitro-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) 2.62 8.64 -15.57 1 8 0 113 338.323 3 ↓

Analogs

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Popular Name: 3-[(5-tert-butyl-2-hydroxy-3-nitro-phenyl)methyleneamino]-2-methyl-quinazolin-4-one 3-[(5-tert-butyl-2-hydroxy-3-nit…

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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) 3.88 10.3 -14.08 1 8 0 113 380.404 4 ↓

Analogs

6264221
6264221

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Popular Name: 3-[(E)-(4-bromobenzylidene)amino]-2-propyl-quinazolin-4-one 3-[(E)-(4-bromobenzylidene)amino…

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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) 4.46 1.35 -9.72 0 4 0 47 370.25 4 ↓

Analogs

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Popular Name: 3-[(E)-(3,5-dichloro-2-hydroxy-benzylidene)amino]-2-propyl-quinazolin-4-one 3-[(E)-(3,5-dichloro-2-hydroxy-b…

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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) 4.64 9.27 -9.12 1 5 0 67 376.243 4 ↓
Mid Mid (pH 6-8) 4.64 10.04 -43.47 0 5 -1 70 375.235 4 ↓

Analogs

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Popular Name: 2-[4-oxo-3-(p-tolylmethyleneamino)quinazolin-2-yl]sulfanylacetonitrile 2-[4-oxo-3-(p-tolylmethyleneamin…

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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) 3.64 2.67 -13.62 0 5 0 71 334.404 4 ↓

Analogs

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Popular Name: 2-[[4-keto-3-[(E)-(4-methylbenzylidene)amino]quinazolin-2-yl]thio]acetic-acid-ethyl-ester 2-[[4-keto-3-[(E)-(4-methylbenzy…

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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) 4.09 2.45 -13.54 0 6 0 73 381.457 7 ↓

Parameters Provided:

ring.id = 51938
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 = 51938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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