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

12232478
12232478

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Popular Name: 8-dimethylamino-7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-purine-2,6-dione 8-dimethylamino-7-[(2S)-2-hydrox…

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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) 0.28 -5.07 -8.93 2 8 0 96 329.36 4 ↓
Mid Mid (pH 6-8) 0.28 -4.77 -36.35 3 8 1 97 330.368 4 ↓

Analogs

12232477
12232477

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Popular Name: 8-dimethylamino-7-[(2R)-2-hydroxy-2-phenyl-ethyl]-3-methyl-purine-2,6-dione 8-dimethylamino-7-[(2R)-2-hydrox…

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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) 0.28 -4.83 -9.72 2 8 0 96 329.36 4 ↓
Mid Mid (pH 6-8) 0.28 -4.58 -37.03 3 8 1 97 330.368 4 ↓

Analogs

12232486
12232486
23115256
23115256
23115258
23115258

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Popular Name: 8-diethylamino-7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-purine-2,6-dione 8-diethylamino-7-[(2S)-2-hydroxy…

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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) 1.04 -4.69 -10.08 2 8 0 96 357.414 6 ↓
Mid Mid (pH 6-8) 1.04 -4.39 -36.2 3 8 1 97 358.422 6 ↓

Analogs

23115256
23115256
23115258
23115258
12232482
12232482

Draw Identity 99% 90% 80% 70%

Popular Name: 8-diethylamino-7-[(2R)-2-hydroxy-2-phenyl-ethyl]-3-methyl-purine-2,6-dione 8-diethylamino-7-[(2R)-2-hydroxy…

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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) 1.04 -4.47 -10.25 2 8 0 96 357.414 6 ↓
Mid Mid (pH 6-8) 1.04 -4.19 -36.44 3 8 1 97 358.422 6 ↓

Analogs

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Popular Name: (2Z)-2-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-purin-8-yl)hydrazono]pentanedioic (2Z)-2-[(1,3-dimethyl-2,6-dioxo-…

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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) 0.99 13.12 -103.04 1 12 -2 166 440.416 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(dimethylamino)-1,3-dimethyl-7-phenethyl-xanthine 8-(dimethylamino)-1,3-dimethyl-7…

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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) 2.29 -0.61 -8.6 0 7 0 65 327.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethyl]purine-2,6-dione 1,3-dimethyl-7-[2-(4-nitrophenyl…

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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) 1.83 10.33 -17.58 0 9 0 108 329.316 4 ↓

Parameters Provided:

ring.id = 97407
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 = 97407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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