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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

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Popular Name: 7-allyl-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione 7-allyl-8-(4-benzylpiperazin-1-y…

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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) 2.42 11.19 -8.96 0 8 0 68 394.479 5 ↓

Analogs

12547629
12547629

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Popular Name: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-propyl-purine-2,6-dione 8-(4-benzylpiperazin-1-yl)-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) 1.64 9.22 -8.3 1 8 0 79 382.468 5 ↓

Analogs

4316388
4316388

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Popular Name: 8-(4-benzylpiperazin-1-yl)-7-ethyl-3-methyl-purine-2,6-dione 8-(4-benzylpiperazin-1-yl)-7-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) 1.14 8.44 -8.51 1 8 0 79 368.441 4 ↓

Analogs

4316548
4316548

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Popular Name: 8-(4-benzylpiperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione 8-(4-benzylpiperazin-1-yl)-7-(2-…

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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) 0.75 7.51 -8.71 1 9 0 88 398.467 6 ↓

Analogs

4316479
4316479

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Popular Name: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-(2-methylallyl)purine-2,6-dione 8-(4-benzylpiperazin-1-yl)-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) 1.95 9.4 -7.86 1 8 0 79 394.479 5 ↓

Analogs

4316560
4316560

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Popular Name: 8-(4-benzylpiperazin-1-yl)-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione 8-(4-benzylpiperazin-1-yl)-7-(2-…

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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 8.49 -8.68 1 9 0 88 412.494 7 ↓

Analogs

4316459
4316459

Draw Identity 99% 90% 80% 70%

Popular Name: 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-purine-2,6-dione 7-allyl-8-(4-benzylpiperazin-1-y…

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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) 1.41 9.03 -8.7 1 8 0 79 380.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-allyl-8-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-purine-2,6-dione 7-allyl-8-[4-[(2-fluorophenyl)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) 1.52 9.07 -9.23 1 8 0 79 398.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-ethyl-3-methyl-8-[4-(o-tolylmethyl)piperazin-1-yl]purine-2,6-dione 7-ethyl-3-methyl-8-[4-(o-tolylme…

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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 9.46 -8.57 1 8 0 79 382.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylallyl)purine-2,6-dione 8-[4-[(2-fluorophenyl)methyl]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) 2.07 9.5 -8.64 1 8 0 79 412.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione 8-[4-[(2-fluorophenyl)methyl]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) 0.86 7.55 -9.52 1 9 0 88 416.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-ethyl-8-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-purine-2,6-dione 7-ethyl-8-[4-[(2-fluorophenyl)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) 1.25 8.51 -9.09 1 8 0 79 386.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-3-methyl-8-[4-(o-tolylmethyl)piperazin-1-yl]purine-2,6-dione 7-(2-methoxyethyl)-3-methyl-8-[4…

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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) 1.15 8.5 -8.78 1 9 0 88 412.494 6 ↓

Parameters Provided:

ring.id = 78515
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 = 78515 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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