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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: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione 8-[[4-(3-chlorophenyl)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) 2.59 9.02 -12.24 0 8 0 68 416.913 4 ↓

Analogs

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Popular Name: 7-(2-ethoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione 7-(2-ethoxyethyl)-8-[[4-(4-metho…

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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) 0.96 5.66 -12.38 1 10 0 98 442.52 8 ↓

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) 1.06 7.13 -16.14 1 10 0 105 446.895 6 ↓
Hi High (pH 8-9.5) 1.52 4.44 -57.44 0 10 -1 109 445.887 6 ↓

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) 0.46 5.9 -16.7 1 11 0 115 442.476 7 ↓
Hi High (pH 8-9.5) 0.92 3.21 -57.44 0 11 -1 118 441.468 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.84 6.81 -16.48 1 11 0 115 456.503 8 ↓

Analogs

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Popular Name: 2-[8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-2,6-dioxo-purin-7-yl]acetamide 2-[8-[[4-(3-chlorophenyl)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) -0.07 3.16 -19.03 3 10 0 122 431.884 5 ↓

Analogs

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Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-[(1S)-1-methyl-2-oxo-propyl]purine-2,6-dione 8-[[4-(3-chlorophenyl)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) 1.11 8.08 -17.42 1 9 0 96 444.923 5 ↓

Analogs

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Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-[(1R)-1-methyl-2-oxo-propyl]purine-2,6-dione 8-[[4-(3-chlorophenyl)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) 1.11 8.51 -18.91 1 9 0 96 444.923 5 ↓

Analogs

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Popular Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione 8-[[4-(4-fluorophenyl)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) 1.66 5.97 -11.93 1 8 0 79 372.404 3 ↓
Lo Low (pH 4.5-6) 1.17 7.59 -39.15 1 8 0 83 372.404 3 ↓

Analogs

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Popular Name: 7-butyl-8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione 7-butyl-8-[[4-(5-chloro-2-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) 4.05 11.87 -10.58 0 8 0 68 458.994 6 ↓

Analogs

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Popular Name: 7-ethyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione 7-ethyl-8-[[4-(2-fluorophenyl)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) 2.05 9.02 -12.34 0 8 0 68 400.458 4 ↓

Analogs

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Popular Name: 7-acetonyl-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione 7-acetonyl-8-[[4-(4-fluorophenyl…

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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) 1.27 8.68 -17.28 0 9 0 85 428.468 5 ↓

Analogs

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Popular Name: 3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-7H-purine-2,6-dione 3-methyl-8-[(4-phenylpiperazin-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) 0.48 3.97 -10.77 2 8 0 90 340.387 3 ↓
Hi High (pH 8-9.5) 0.94 3.11 -37.74 1 8 -1 93 339.379 3 ↓
Lo Low (pH 4.5-6) 0.94 5.33 -36.14 2 8 0 94 340.387 3 ↓

Analogs

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Popular Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(1S)-1-methyl-2-oxo-propyl]purine-2,6- 8-[[4-(4-methoxyphenyl)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) 1.52 9.48 -17.56 0 10 0 95 454.531 6 ↓

Analogs

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Popular Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(1R)-1-methyl-2-oxo-propyl]purine-2,6- 8-[[4-(4-methoxyphenyl)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) 1.52 9.52 -18.41 0 10 0 95 454.531 6 ↓

Analogs

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Popular Name: 7-acetonyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione 7-acetonyl-8-[[4-(4-methoxypheny…

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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) 1.16 7.91 -17.69 0 10 0 95 440.504 6 ↓

Analogs

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Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(1S)-1-methyl-2-oxo-propyl]purine-2,6-d 8-[[4-(3-chlorophenyl)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) 2.12 9.8 -8.21 0 9 0 85 458.95 5 ↓

Analogs

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Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(1R)-1-methyl-2-oxo-propyl]purine-2,6-d 8-[[4-(3-chlorophenyl)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) 2.12 10.01 -8.54 0 9 0 85 458.95 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.91 10.19 -13.47 0 10 0 95 458.494 7 ↓

Analogs

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Popular Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-di 8-[[4-(5-chloro-2-methyl-phenyl)…

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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 9.08 -11.05 0 9 0 78 460.966 6 ↓

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) 2.08 9.15 -14.94 0 10 0 95 460.922 6 ↓

Analogs

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Popular Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-propyl-purine-2,6-dione 8-[[4-(4-methoxyphenyl)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) 1.48 6.39 -12.46 1 9 0 88 412.494 6 ↓

Analogs

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Popular Name: 7-isopropyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione 7-isopropyl-8-[[4-(4-methoxyphen…

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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 8.3 -11.89 0 9 0 78 426.521 5 ↓

Analogs

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Popular Name: 7-isopropyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione 7-isopropyl-1,3-dimethyl-8-[(4-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) 2.30 9.01 -10.53 0 8 0 68 396.495 4 ↓

Analogs

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Popular Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione 8-[[4-(5-chloro-2-methyl-phenyl)…

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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) 2.55 7.77 -10.79 1 8 0 79 402.886 3 ↓
Lo Low (pH 4.5-6) 2.06 9.38 -37.02 1 8 0 83 402.886 3 ↓

Analogs

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Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-propyl-purine-2,6-dione 8-[[4-(3-chlorophenyl)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) 2.08 7.62 -11.84 1 8 0 79 416.913 5 ↓

Parameters Provided:

ring.id = 105338
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 = 105338 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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