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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-isopentylsulfonylpiperazin-1-yl)methyl]quinazolin-4-amine 2-[(4-isopentylsulfonylpiperazin…

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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) 1.97 3.93 -15.31 2 7 0 92 377.514 6 ↓
Mid Mid (pH 6-8) 1.97 4.23 -34.16 3 7 1 94 378.522 6 ↓

Analogs

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Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]quinazolin-4-amine 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) 1.51 3.02 -12.07 2 5 0 58 307.348 4 ↓
Mid Mid (pH 6-8) 1.51 3.33 -27.82 3 5 1 60 308.356 4 ↓
Lo Low (pH 4.5-6) 1.51 5.45 -81.73 4 5 2 61 309.364 4 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]quinazolin-4-amine 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) 1.01 2.95 -38.08 4 5 1 72 272.376 2 ↓
Hi High (pH 8-9.5) 1.01 1.65 -8.52 3 5 0 67 271.368 2 ↓
Mid Mid (pH 6-8) 1.01 3.38 -81.77 5 5 2 73 273.384 2 ↓

Analogs

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Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]quinazolin-4-amine 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) 1.01 2.89 -41.39 4 5 1 72 272.376 2 ↓
Hi High (pH 8-9.5) 1.01 1.74 -8.71 3 5 0 67 271.368 2 ↓
Mid Mid (pH 6-8) 1.01 3.54 -79.42 5 5 2 73 273.384 2 ↓

Analogs

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Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]quinazolin-4-amine 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) 1.01 3.01 -42.22 4 5 1 72 272.376 2 ↓
Hi High (pH 8-9.5) 1.01 1.85 -8.87 3 5 0 67 271.368 2 ↓
Mid Mid (pH 6-8) 1.01 3.36 -81.31 5 5 2 73 273.384 2 ↓

Analogs

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Popular Name: (2R)-3,3-dimethyl-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]butan-2-ol (2R)-3,3-dimethyl-1-[4-[(4-methy…

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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) 2.62 3.77 -10.05 1 5 0 52 342.487 5 ↓
Mid Mid (pH 6-8) 2.62 6.04 -38.07 2 5 1 54 343.495 5 ↓

Analogs

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Popular Name: (2S)-3,3-dimethyl-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]butan-2-ol (2S)-3,3-dimethyl-1-[4-[(4-methy…

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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) 2.62 3.67 -9.48 1 5 0 52 342.487 5 ↓
Mid Mid (pH 6-8) 2.62 6.01 -37.27 2 5 1 54 343.495 5 ↓

Analogs

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Popular Name: 2-[[(3R)-4-(2-ethoxyethyl)-3-ethyl-piperazin-1-yl]methyl]quinazolin-4-amine 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) 2.17 6.43 -34.82 3 6 1 69 344.483 7 ↓
Mid Mid (pH 6-8) 2.17 4.58 -26.42 3 6 1 69 344.483 7 ↓
Mid Mid (pH 6-8) 2.17 4.27 -10.51 2 6 0 68 343.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-4-(2-ethoxyethyl)-3-ethyl-piperazin-1-yl]methyl]quinazolin-4-amine 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) 2.17 6.14 -32.99 3 6 1 69 344.483 7 ↓
Mid Mid (pH 6-8) 2.17 3.91 -9.94 2 6 0 68 343.475 7 ↓
Mid Mid (pH 6-8) 2.17 4.42 -27.3 3 6 1 69 344.483 7 ↓

Analogs

42870516
42870516

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Popular Name: 1-[(1R)-1-methylpropyl]-3-[2-(piperazin-1-ylmethyl)quinazolin-4-yl]urea 1-[(1R)-1-methylpropyl]-3-[2-(pi…

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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) 1.58 4.87 -43.96 4 7 1 87 343.455 5 ↓
Hi High (pH 8-9.5) 1.58 3.51 -16.21 3 7 0 82 342.447 5 ↓

Analogs

42870516
42870516

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-methylpropyl]-3-[2-(piperazin-1-ylmethyl)quinazolin-4-yl]urea 1-[(1S)-1-methylpropyl]-3-[2-(pi…

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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) 1.58 4.87 -44 4 7 1 87 343.455 5 ↓
Hi High (pH 8-9.5) 1.58 3.51 -16.17 3 7 0 82 342.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-quinazoline 2-[[4-(2-ethoxyethyl)piperazin-1…

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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) 1.92 6.69 -34.72 1 5 1 43 315.441 6 ↓
Mid Mid (pH 6-8) 1.92 4.35 -9.93 0 5 0 41 314.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-methyl-propan-2-ol 1-[4-[(4-aminoquinazolin-2-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) 1.12 1.73 -10.47 3 6 0 79 315.421 4 ↓
Mid Mid (pH 6-8) 1.12 2.04 -26.56 4 6 1 80 316.429 4 ↓
Mid Mid (pH 6-8) 1.12 3.53 -37.15 4 6 1 80 316.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine 2-[[(3R)-3-ethyl-4-(2-methoxyeth…

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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) 1.79 5.45 -34.74 3 6 1 69 330.456 6 ↓
Mid Mid (pH 6-8) 1.79 3.29 -10.61 2 6 0 68 329.448 6 ↓
Mid Mid (pH 6-8) 1.79 3.6 -26.56 3 6 1 69 330.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine 2-[[(3S)-3-ethyl-4-(2-methoxyeth…

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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) 1.79 5.17 -33 3 6 1 69 330.456 6 ↓
Mid Mid (pH 6-8) 1.79 3.44 -27.48 3 6 1 69 330.456 6 ↓
Mid Mid (pH 6-8) 1.79 2.94 -10.03 2 6 0 68 329.448 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-methyl-quinazoline 2-[[4-(2-methoxyethyl)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) 1.54 3.37 -10.04 0 5 0 41 300.406 5 ↓
Mid Mid (pH 6-8) 1.54 5.72 -34.65 1 5 1 43 301.414 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanol 2-[4-[(4-methylquinazolin-2-yl)m…

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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) 0.93 0.97 -11.02 1 5 0 52 286.379 4 ↓
Mid Mid (pH 6-8) 0.93 3.32 -34.9 2 5 1 54 287.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one 6-chloro-2-[[4-(2-methoxyethyl)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) 1.88 2.59 -42.14 1 6 0 66 336.823 5 ↓
Mid Mid (pH 6-8) 1.42 2.97 -9.64 1 6 0 61 336.823 5 ↓
Mid Mid (pH 6-8) 1.42 5.29 -43.66 2 6 1 63 337.831 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]methyl]-4-methyl-quinazoline 2-[[(3S)-4-(2-ethoxyethyl)-3-met…

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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) 2.25 7.15 -33.24 1 5 1 43 329.468 6 ↓
Mid Mid (pH 6-8) 2.25 4.93 -9.83 0 5 0 41 328.46 6 ↓

Parameters Provided:

ring.id = 43449
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 = 43449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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