UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]propanamide N-[3-(4-oxo-2-thioxo-1H-quinazol…

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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) 2.56 8.27 -17.56 2 5 0 67 325.393 3 ↓
Mid Mid (pH 6-8) 3.29 7.98 -47.17 1 5 -1 64 324.385 3 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid 3-(4-fluorophenyl)-2-mercapto-4-…

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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) 2.36 9.24 -40.67 1 5 -1 78 315.305 2 ↓
Mid Mid (pH 6-8) 3.09 8.95 -91.42 0 5 -2 75 314.297 2 ↓

Analogs

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Popular Name: N-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]methanesulfonamide N-[3-(4-oxo-2-thioxo-1H-quinazol…

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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) 1.73 5.2 -17.87 2 6 0 84 347.421 3 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-2-thioxo-1H-quinazolin-4-one 3-(3-fluorophenyl)-2-thioxo-1H-q…

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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) 2.66 8.66 -15.16 1 3 0 38 272.304 1 ↓
Mid Mid (pH 6-8) 3.39 8.24 -43.16 0 3 -1 35 271.296 1 ↓

Analogs

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Popular Name: 3-(4-fluoro-2-methylphenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone 3-(4-fluoro-2-methylphenyl)-2-th…

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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) 3.07 9.6 -13.77 1 3 0 38 286.331 1 ↓
Mid Mid (pH 6-8) 3.79 9.18 -40.25 0 3 -1 35 285.323 1 ↓

Analogs

34476258
34476258

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Popular Name: N-{4-[4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl]phenyl}acetamide N-{4-[4-oxo-2-thioxo-1,4-dihydro…

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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) 1.53 7.42 -23.47 2 5 0 67 311.366 2 ↓
Mid Mid (pH 6-8) 2.26 7 -55.4 1 5 -1 64 310.358 2 ↓

Analogs

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Popular Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoic-acid-methyl-ester 2-(4-keto-2-thioxo-1H-quinazolin…

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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) 2.31 9.43 -19.95 1 5 0 64 312.35 3 ↓
Mid Mid (pH 6-8) 3.04 9.01 -54.16 0 5 -1 61 311.342 3 ↓

Analogs

2787885
2787885

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Popular Name: 3-(3,4-Dimethoxy-phenyl)-2-mercapto-3H-quinazolin-4-one 3-(3,4-Dimethoxy-phenyl)-2-merca…

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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) 2.17 7.84 -17.54 1 5 0 56 314.366 3 ↓
Mid Mid (pH 6-8) 2.90 7.42 -45.48 0 5 -1 53 313.358 3 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone 3-(2-fluorophenyl)-2-thioxo-2,3-…

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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) 2.64 8.74 -17.34 1 3 0 38 272.304 1 ↓
Mid Mid (pH 6-8) 3.37 8.31 -48.27 0 3 -1 35 271.296 1 ↓

Analogs

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Popular Name: 3-(3-fluoro-4-methoxy-phenyl)-2-sulfanyl-quinazolin-4-one 3-(3-fluoro-4-methoxy-phenyl)-2-…

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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) 2.67 7.99 -15.23 1 4 0 47 302.33 2 ↓
Mid Mid (pH 6-8) 3.40 7.7 -43.78 0 4 -1 44 301.322 2 ↓

Analogs

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Popular Name: 3-[2-(methoxymethyl)phenyl]-2-sulfanyl-quinazolin-4-one 3-[2-(methoxymethyl)phenyl]-2-su…

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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) 2.43 8.78 -14.55 1 4 0 47 298.367 3 ↓
Mid Mid (pH 6-8) 3.16 8.49 -45.6 0 4 -1 44 297.359 3 ↓

Parameters Provided:

ring.id = 13339
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 = 13339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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