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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-isopropylpiperazin-1-yl)methyl]-3H-quinazolin-4-one 2-[(4-isopropylpiperazin-1-yl)me…

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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) 1.46 5.99 -43.92 2 5 1 53 287.387 3 ↓
Hi High (pH 8-9.5) 1.46 3.72 -10.16 1 5 0 52 286.379 3 ↓
Mid Mid (pH 6-8) 1.46 6 -48.1 2 5 1 53 287.387 3 ↓

Analogs

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Popular Name: 6,7-dimethoxy-2-[(4-methylpiperazin-1-yl)methyl]-3H-quinazolin-4-one 6,7-dimethoxy-2-[(4-methylpipera…

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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) 0.41 4.27 -49.2 2 7 1 72 319.385 4 ↓
Mid Mid (pH 6-8) 0.41 4.11 -52.74 2 7 1 72 319.385 4 ↓
Mid Mid (pH 6-8) 0.41 1.8 -12.53 1 7 0 71 318.377 4 ↓

Analogs

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Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one 2-[[4-(2,2-difluoroethyl)piperaz…

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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) 0.98 2.93 -13.64 1 7 0 71 368.384 6 ↓
Mid Mid (pH 6-8) 0.98 5.17 -53.69 2 7 1 72 369.392 6 ↓

Analogs

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Popular Name: 6-chloro-2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one 6-chloro-2-[[4-(2,2-difluoroethy…

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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) 2.01 4.21 -11.19 1 5 0 52 342.777 4 ↓
Mid Mid (pH 6-8) 2.01 6.45 -51.91 2 5 1 53 343.785 4 ↓
Mid Mid (pH 6-8) 2.47 3.82 -45.99 1 5 0 57 342.777 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[4-(2,2-difluoroethyl)piperaz…

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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) 1.36 3.7 -12.07 1 5 0 52 308.332 4 ↓
Mid Mid (pH 6-8) 1.36 5.94 -49.18 2 5 1 53 309.34 4 ↓

Analogs

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Popular Name: N-isopropyl-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide N-isopropyl-4-[(4-oxo-3H-quinazo…

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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) 1.66 4.54 -16.88 2 7 0 81 329.404 3 ↓
Mid Mid (pH 6-8) 1.66 6.72 -57.26 3 7 1 83 330.412 3 ↓

Analogs

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Popular Name: N-[(1R)-1-methylhexyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide N-[(1R)-1-methylhexyl]-4-[(4-oxo…

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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) 3.77 7.83 -14.93 2 7 0 81 385.512 7 ↓
Mid Mid (pH 6-8) 3.77 10.01 -59.76 3 7 1 83 386.52 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methylhexyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide N-[(1S)-1-methylhexyl]-4-[(4-oxo…

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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) 3.77 7.81 -16.54 2 7 0 81 385.512 7 ↓
Mid Mid (pH 6-8) 3.77 10 -57.33 3 7 1 83 386.52 7 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 0.85 3.82 -47.26 3 5 1 66 273.36 2 ↓
Hi High (pH 8-9.5) 0.85 2.48 -8.27 2 5 0 61 272.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 0.85 3.65 -47.81 3 5 1 66 273.36 2 ↓
Hi High (pH 8-9.5) 0.85 2.5 -8.66 2 5 0 61 272.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 0.85 3.7 -47.42 3 5 1 66 273.36 2 ↓
Hi High (pH 8-9.5) 0.85 2.52 -8.48 2 5 0 61 272.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3H-quinazolin-4-one 6-chloro-2-[[(2S,6R)-2,6-dimethy…

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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) 1.50 4.33 -49.12 3 5 1 66 307.805 2 ↓
Hi High (pH 8-9.5) 1.50 2.99 -7.41 2 5 0 61 306.797 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3H-quinazolin-4-one 6-chloro-2-[[(2S,6S)-2,6-dimethy…

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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) 1.50 4.16 -48.79 3 5 1 66 307.805 2 ↓
Hi High (pH 8-9.5) 1.50 3.01 -7.73 2 5 0 61 306.797 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3H-quinazolin-4-one 6-chloro-2-[[(2R,6R)-2,6-dimethy…

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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) 1.50 4.21 -48.51 3 5 1 66 307.805 2 ↓
Hi High (pH 8-9.5) 1.50 3.04 -7.66 2 5 0 61 306.797 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-8-methyl-3H-quinazolin-4-one 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 1.25 4.66 -46.59 3 5 1 66 287.387 2 ↓
Hi High (pH 8-9.5) 1.25 3.2 -7.85 2 5 0 61 286.379 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-8-methyl-3H-quinazolin-4-one 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 1.25 4.5 -48.25 3 5 1 66 287.387 2 ↓
Hi High (pH 8-9.5) 1.25 3.33 -8.34 2 5 0 61 286.379 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-8-methyl-3H-quinazolin-4-one 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 1.25 4.45 -48.41 3 5 1 66 287.387 2 ↓
Hi High (pH 8-9.5) 1.25 3.29 -8.51 2 5 0 61 286.379 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one 2-[[4-(2-hydroxyethyl)piperazin-…

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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) -0.22 1.46 -52.61 3 8 1 92 349.411 6 ↓
Mid Mid (pH 6-8) -0.22 -0.77 -12.98 2 8 0 91 348.403 6 ↓
Mid Mid (pH 6-8) -0.22 1.58 -45.94 3 8 1 92 349.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-4-(2-ethoxyethyl)-3-ethyl-piperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[(3R)-4-(2-ethoxyethyl)-3-eth…

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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) 2.01 7.13 -40.85 2 6 1 63 345.467 7 ↓
Mid Mid (pH 6-8) 2.01 4.95 -10.01 1 6 0 61 344.459 7 ↓
Mid Mid (pH 6-8) 2.01 7.19 -45.63 2 6 1 63 345.467 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-4-(2-ethoxyethyl)-3-ethyl-piperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[(3S)-4-(2-ethoxyethyl)-3-eth…

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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) 2.01 6.83 -40.66 2 6 1 63 345.467 7 ↓
Mid Mid (pH 6-8) 2.01 4.58 -9.87 1 6 0 61 344.459 7 ↓
Mid Mid (pH 6-8) 2.01 6.81 -47.16 2 6 1 63 345.467 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[(3R)-4-(2-methoxyethyl)-3-me…

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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) 1.10 5.61 -45.94 2 6 1 63 317.413 5 ↓
Hi High (pH 8-9.5) 1.56 2.84 -42.03 1 6 0 66 316.405 5 ↓
Mid Mid (pH 6-8) 1.10 5.57 -40.54 2 6 1 63 317.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[(3S)-4-(2-methoxyethyl)-3-me…

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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) 1.10 5.2 -47.43 2 6 1 63 317.413 5 ↓
Hi High (pH 8-9.5) 1.56 2.59 -42.55 1 6 0 66 316.405 5 ↓
Mid Mid (pH 6-8) 1.10 2.99 -10.23 1 6 0 61 316.405 5 ↓

Parameters Provided:

ring.id = 49950
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 = 49950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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