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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: 2-[(2-fluorophenyl)sulfanylmethyl]-3-methyl-quinazolin-4-one 2-[(2-fluorophenyl)sulfanylmethy…

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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) 3.30 9.7 -14.45 0 3 0 35 300.358 3 ↓

Analogs

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Popular Name: 2-[(4-bromophenyl)sulfanylmethyl]-3-methyl-quinazolin-4-one 2-[(4-bromophenyl)sulfanylmethyl…

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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) 4.00 10.29 -11.78 0 3 0 35 361.264 3 ↓

Analogs

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Popular Name: 2-(o-tolylsulfanylmethyl)-1H-quinazolin-4-one 2-(o-tolylsulfanylmethyl)-1H-qui…

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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) 3.52 8.47 -10.57 1 3 0 46 282.368 3 ↓
Hi High (pH 8-9.5) 3.98 6.04 -49.44 0 3 -1 49 281.36 3 ↓

Analogs

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

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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) 2.86 7.16 -14.79 1 5 0 64 346.383 5 ↓

Analogs

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Popular Name: 2-[(4-aminophenyl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one 2-[(4-aminophenyl)sulfanylmethyl…

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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) 2.60 6.6 -11.13 3 4 0 72 297.383 3 ↓
Hi High (pH 8-9.5) 3.05 4.16 -50.9 2 4 -1 75 296.375 3 ↓

Analogs

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Popular Name: 2-[(4-aminophenyl)sulfanylmethyl]-6-chloro-3H-quinazolin-4-one 2-[(4-aminophenyl)sulfanylmethyl…

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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) 2.85 6.28 -10.32 3 4 0 72 317.801 3 ↓
Mid Mid (pH 6-8) 3.31 3.85 -45.78 2 4 -1 75 316.793 3 ↓

Analogs

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Popular Name: 2-[(4-aminophenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(4-aminophenyl)sulfanylmethyl…

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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) 2.19 5.77 -11.28 3 4 0 72 283.356 3 ↓
Hi High (pH 8-9.5) 2.65 3.35 -50.22 2 4 -1 75 282.348 3 ↓

Analogs

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Popular Name: 2-[(2-amino-4-methyl-phenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(2-amino-4-methyl-phenyl)sulf…

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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) 2.98 6.51 -10.87 3 4 0 72 297.383 3 ↓
Hi High (pH 8-9.5) 3.44 4.08 -49.19 2 4 -1 75 296.375 3 ↓

Analogs

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Popular Name: 2-[(4-amino-2-methyl-phenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(4-amino-2-methyl-phenyl)sulf…

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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) 2.57 6.33 -11.19 3 4 0 72 297.383 3 ↓
Hi High (pH 8-9.5) 3.03 3.91 -50.52 2 4 -1 75 296.375 3 ↓

Analogs

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Popular Name: 2-[(4-amino-2-fluoro-phenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(4-amino-2-fluoro-phenyl)sulf…

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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) 2.29 5.81 -13.84 3 4 0 72 301.346 3 ↓
Hi High (pH 8-9.5) 2.74 3.39 -52.18 2 4 -1 75 300.338 3 ↓

Analogs

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Popular Name: 2-[(2-amino-4-fluoro-phenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(2-amino-4-fluoro-phenyl)sulf…

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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) 2.69 5.91 -11.69 3 4 0 72 301.346 3 ↓
Hi High (pH 8-9.5) 3.15 3.49 -46.54 2 4 -1 75 300.338 3 ↓

Analogs

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Popular Name: 2-[(2-amino-6-chloro-phenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(2-amino-6-chloro-phenyl)sulf…

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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) 3.18 6.42 -10.49 3 4 0 72 317.801 3 ↓
Hi High (pH 8-9.5) 3.64 3.99 -52.07 2 4 -1 75 316.793 3 ↓

Analogs

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Popular Name: 2-[(4-amino-2-chloro-phenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(4-amino-2-chloro-phenyl)sulf…

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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) 2.80 6.22 -12.66 3 4 0 72 317.801 3 ↓
Hi High (pH 8-9.5) 3.26 3.8 -50.9 2 4 -1 75 316.793 3 ↓

Analogs

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Popular Name: 2-[(2-amino-4-bromo-phenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(2-amino-4-bromo-phenyl)sulfa…

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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) 3.34 6.47 -11.07 3 4 0 72 362.252 3 ↓
Hi High (pH 8-9.5) 3.80 4.04 -46.36 2 4 -1 75 361.244 3 ↓

Analogs

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Popular Name: 2-[(2-amino-4-chloro-phenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(2-amino-4-chloro-phenyl)sulf…

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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) 3.21 6.36 -11.11 3 4 0 72 317.801 3 ↓
Hi High (pH 8-9.5) 3.66 3.94 -46.49 2 4 -1 75 316.793 3 ↓

Parameters Provided:

ring.id = 50736
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 = 50736 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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