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

Analogs

48342490
48342490
48583992
48583992
15376666
15376666

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-1-piperidyl)methyl]-6-chloro-3H-quinazolin-4-one 2-[(4-amino-1-piperidyl)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) 0.81 2.87 -51.71 4 5 1 77 293.778 2 ↓
Hi High (pH 8-9.5) 1.27 0.09 -70.94 3 5 0 80 292.77 2 ↓
Mid Mid (pH 6-8) 0.81 4.75 -50.22 4 5 1 76 293.778 2 ↓

Analogs

12736667
12736667
12736669
12736669

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Popular Name: 2-[(4-amino-1-piperidyl)methyl]-8-methyl-3H-quinazolin-4-one 2-[(4-amino-1-piperidyl)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) 0.56 3.17 -51.76 4 5 1 77 273.36 2 ↓
Mid Mid (pH 6-8) 1.02 2.45 -44.65 3 5 0 79 272.352 2 ↓
Lo Low (pH 4.5-6) 0.56 5.35 -124.25 5 5 2 78 274.368 2 ↓

Analogs

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Popular Name: 2-(1-piperidinoethyl)-4(3H)-quinazolinone 2-(1-piperidinoethyl)-4(3H)-quin…

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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 5.4 -8.38 1 4 0 49 257.337 2 ↓
Mid Mid (pH 6-8) 2.82 4.85 -39.95 1 4 0 53 257.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-piperidinoethyl)-4(3H)-quinazolinone 2-(1-piperidinoethyl)-4(3H)-quin…

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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 5.38 -8.19 1 4 0 49 257.337 2 ↓
Mid Mid (pH 6-8) 2.82 4.82 -39.96 1 4 0 53 257.337 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-[4-(hydroxymethyl)-1-piperidyl]ethyl]-3H-quinazolin-4-one 2-[(1S)-1-[4-(hydroxymethyl)-1-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) 1.59 4.75 -43.76 3 5 1 70 288.371 3 ↓
Mid Mid (pH 6-8) 2.05 2.15 -42.77 2 5 0 74 287.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-[4-(hydroxymethyl)-1-piperidyl]ethyl]-3H-quinazolin-4-one 2-[(1R)-1-[4-(hydroxymethyl)-1-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) 1.59 4.76 -44.73 3 5 1 70 288.371 3 ↓
Mid Mid (pH 6-8) 2.05 2.13 -40.16 2 5 0 74 287.363 3 ↓

Analogs

16591224
16591224

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Popular Name: 7-chloro-2-[[(3R)-3-(trifluoromethyl)-1-piperidyl]methyl]-3H-quinazolin-4-one 7-chloro-2-[[(3R)-3-(trifluorome…

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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) 3.25 6.53 -8.1 1 4 0 49 345.752 3 ↓
Hi High (pH 8-9.5) 3.70 5.51 -35.77 0 4 -1 52 344.744 3 ↓
Lo Low (pH 4.5-6) 3.25 8.72 -51.99 2 4 1 50 346.76 3 ↓

Analogs

16591223
16591223

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Popular Name: 7-chloro-2-[[(3S)-3-(trifluoromethyl)-1-piperidyl]methyl]-3H-quinazolin-4-one 7-chloro-2-[[(3S)-3-(trifluorome…

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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) 3.25 6.53 -8.09 1 4 0 49 345.752 3 ↓
Hi High (pH 8-9.5) 3.70 5.5 -35.79 0 4 -1 52 344.744 3 ↓
Lo Low (pH 4.5-6) 3.25 8.72 -52 2 4 1 50 346.76 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-3H-quinazolin-4-one 2-[[(3S)-3-(hydroxymethyl)-1-pip…

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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) 1.03 2.42 -11.32 2 5 0 69 273.336 3 ↓
Mid Mid (pH 6-8) 1.49 1.99 -44.78 2 5 0 74 273.336 3 ↓
Mid Mid (pH 6-8) 1.03 4.59 -49.65 3 5 1 70 274.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-(hydroxymethyl)-1-piperidyl]methyl]-3H-quinazolin-4-one 2-[[(3R)-3-(hydroxymethyl)-1-pip…

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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) 1.03 2.42 -11.31 2 5 0 69 273.336 3 ↓
Mid Mid (pH 6-8) 1.03 4.59 -49.65 3 5 1 70 274.344 3 ↓
Mid Mid (pH 6-8) 1.49 1.84 -45.49 2 5 0 74 273.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-[[(3S)-3-(2-hydroxyethoxy)-1-piperidyl]methyl]-3H-quinazolin-4-one 6-chloro-2-[[(3S)-3-(2-hydroxyet…

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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) 1.20 2.48 -11.26 2 6 0 78 337.807 5 ↓
Mid Mid (pH 6-8) 1.20 4.66 -52.25 3 6 1 80 338.815 5 ↓
Mid Mid (pH 6-8) 1.65 2.06 -43.04 2 6 0 83 337.807 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-[[(3R)-3-(2-hydroxyethoxy)-1-piperidyl]methyl]-3H-quinazolin-4-one 6-chloro-2-[[(3R)-3-(2-hydroxyet…

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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) 1.20 2.48 -10.89 2 6 0 78 337.807 5 ↓
Mid Mid (pH 6-8) 1.20 4.66 -50.41 3 6 1 80 338.815 5 ↓
Mid Mid (pH 6-8) 1.65 1.91 -42.42 2 6 0 83 337.807 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-aminoethyl)-1-piperidyl]methyl]-3H-quinazolin-4-one 2-[[4-(2-aminoethyl)-1-piperidyl…

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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) 0.92 5.94 -109.22 5 5 2 78 288.395 4 ↓
Mid Mid (pH 6-8) 1.38 3.18 -94.05 4 5 1 81 287.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-[(3S)-3-hydroxy-1-piperidyl]ethyl]-3H-quinazolin-4-one 2-[(1S)-1-[(3S)-3-hydroxy-1-pipe…

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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) 1.21 4.09 -44.12 3 5 1 70 274.344 2 ↓
Mid Mid (pH 6-8) 1.67 1.49 -38.57 2 5 0 74 273.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-[(3S)-3-hydroxy-1-piperidyl]ethyl]-3H-quinazolin-4-one 2-[(1R)-1-[(3S)-3-hydroxy-1-pipe…

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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) 1.21 4.09 -42 3 5 1 70 274.344 2 ↓
Mid Mid (pH 6-8) 1.67 1.47 -43.17 2 5 0 74 273.336 2 ↓

Parameters Provided:

ring.id = 27822
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 = 27822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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