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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-[(6-bromo-4-oxo-3H-quinazolin-2-yl)methyl]benzamide 3-[(6-bromo-4-oxo-3H-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) 2.63 4.76 -16.16 3 5 0 89 358.195 3 ↓
Hi High (pH 8-9.5) 3.09 2.39 -48.74 2 5 -1 92 357.187 3 ↓

Analogs

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Popular Name: 3-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]benzamide 3-[(6-fluoro-4-oxo-3H-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) 1.01 4.22 -16.73 3 5 0 89 297.289 3 ↓
Hi High (pH 8-9.5) 1.47 1.85 -49.61 2 5 -1 92 296.281 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.36 8.08 -13.96 1 5 0 72 312.3 4 ↓
Hi High (pH 8-9.5) 3.82 5.71 -41.27 0 5 -1 75 311.292 4 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one 2-[(4-fluorophenyl)methyl]-6,7-d…

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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) 2.84 6.67 -13.52 1 5 0 64 314.316 4 ↓
Hi High (pH 8-9.5) 3.29 4.31 -45.13 0 5 -1 67 313.308 4 ↓

Analogs

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Popular Name: 3-[(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl]benzoic 3-[(6-methyl-4-oxo-3H-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) 3.36 8.6 -58.35 1 5 -1 86 293.302 3 ↓
Hi High (pH 8-9.5) 3.82 6.23 -107.46 0 5 -2 89 292.294 3 ↓

Analogs

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Popular Name: 2-[(3,5-difluorophenyl)methyl]-3H-quinazolin-4-one 2-[(3,5-difluorophenyl)methyl]-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) 3.31 7.51 -11.91 1 3 0 46 272.254 2 ↓
Hi High (pH 8-9.5) 3.76 5.15 -44.8 0 3 -1 49 271.246 2 ↓

Analogs

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Popular Name: 2-(m-tolylmethyl)-3H-quinazolin-4-one 2-(m-tolylmethyl)-3H-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) 3.48 8.04 -10.08 1 3 0 46 250.301 2 ↓
Hi High (pH 8-9.5) 3.93 5.68 -48.6 0 3 -1 49 249.293 2 ↓

Analogs

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Popular Name: 6-fluoro-2-(m-tolylmethyl)-3H-quinazolin-4-one 6-fluoro-2-(m-tolylmethyl)-3H-qu…

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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 8.11 -9.67 1 3 0 46 268.291 2 ↓
Hi High (pH 8-9.5) 3.10 5.74 -45.17 0 3 -1 49 267.283 2 ↓

Parameters Provided:

ring.id = 152170
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 = 152170 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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