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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4225578
4225578
4225596
4225596

Draw Identity 99% 90% 80% 70%

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) 0.78 6.93 -12.95 0 10 0 101 393.444 6 ↓

Analogs

4225578
4225578
4225596
4225596

Draw Identity 99% 90% 80% 70%

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) 0.78 6.94 -12.27 0 10 0 101 393.444 6 ↓

Analogs

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Popular Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-dimethyl-7-pentyl-purine-2,6-dione 8-[[(2S,6S)-2,6-dimethylmorpholi…

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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) 2.49 8.07 -9.99 0 8 0 74 377.489 6 ↓

Analogs

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Popular Name: 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-dimethyl-7-pentyl-purine-2,6-dione 8-[[(2R,6R)-2,6-dimethylmorpholi…

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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) 2.49 8.06 -9.79 0 8 0 74 377.489 6 ↓

Analogs

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Popular Name: 7-hexyl-1,3-dimethyl-8-(morpholinomethyl)purine-2,6-dione 7-hexyl-1,3-dimethyl-8-(morpholi…

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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) 2.27 6.83 -9.98 0 8 0 74 363.462 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione 8-[[(2S,6S)-2,6-dimethylmorpholi…

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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) 2.99 8.9 -10.15 0 8 0 74 391.516 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione 8-[[(2R,6R)-2,6-dimethylmorpholi…

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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) 2.99 8.93 -10.04 0 8 0 74 391.516 7 ↓

Analogs

12539096
12539096
12539098
12539098
4225572
4225572
12532263
12532263

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione 8-[[(2S,6S)-2,6-dimethylmorpholi…

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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) 0.53 4.86 -10.58 0 9 0 84 365.434 5 ↓
Mid Mid (pH 6-8) 0.53 7.19 -130.9 2 9 2 86 367.45 5 ↓

Analogs

12539098
12539098
4225572
4225572
12532263
12532263

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione 8-[[(2R,6R)-2,6-dimethylmorpholi…

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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) 0.53 4.88 -10.4 0 9 0 84 365.434 5 ↓
Mid Mid (pH 6-8) 0.53 7.2 -131.28 2 9 2 86 367.45 5 ↓

Analogs

4225572
4225572
12532263
12532263

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione 8-[[(2R,6S)-2,6-dimethylmorpholi…

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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) 0.53 4.23 -10.09 0 9 0 84 365.434 5 ↓
Mid Mid (pH 6-8) 0.53 7.05 -130.67 2 9 2 86 367.45 5 ↓
Mid Mid (pH 6-8) 0.53 6.66 -53.47 1 9 1 85 366.442 5 ↓

Analogs

12541363
12541363
12541365
12541365
12541366
12541366
20235317
20235317
20235321
20235321

Draw Identity 99% 90% 80% 70%

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) 0.78 6.65 -14.73 0 10 0 101 393.444 6 ↓
Mid Mid (pH 6-8) 0.78 8.94 -51.73 1 10 1 102 394.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione 8-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 2.99 8.57 -10.28 0 8 0 74 391.516 7 ↓
Mid Mid (pH 6-8) 2.99 11.1 -133.29 2 8 2 77 393.532 7 ↓
Mid Mid (pH 6-8) 2.99 10.7 -55.99 1 8 1 76 392.524 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-butyl-8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-methyl-purine-2,6-dione 7-butyl-8-[[(2S,6R)-2,6-dimethyl…

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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) 0.97 4.86 -10.03 1 8 0 85 349.435 5 ↓
Mid Mid (pH 6-8) 0.97 7.54 -133.16 3 8 2 88 351.451 5 ↓
Mid Mid (pH 6-8) 0.97 7.11 -54.91 2 8 1 86 350.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-methyl-7-pentyl-purine-2,6-dione 8-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 1.47 5.64 -10.05 1 8 0 85 363.462 6 ↓
Mid Mid (pH 6-8) 1.47 8.33 -133.98 3 8 2 88 365.478 6 ↓
Mid Mid (pH 6-8) 1.47 7.88 -55.29 2 8 1 86 364.47 6 ↓

Parameters Provided:

ring.id = 67318
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 = 67318 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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