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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: 2,5-dimethyl-4-(7H-purin-6-yloxy)aniline 2,5-dimethyl-4-(7H-purin-6-yloxy…

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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) 1.94 4.62 -13.56 3 6 0 90 255.281 2 ↓
Mid Mid (pH 6-8) 1.94 4.12 -43.83 2 6 -1 88 254.273 2 ↓

Analogs

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Popular Name: 2-[6-(4-nitrophenoxy)-2-(pentylamino)purin-9-yl]acetic 2-[6-(4-nitrophenoxy)-2-(pentyla…

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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) 3.51 12.49 -48.39 1 11 -1 151 399.387 10 ↓

Analogs

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Popular Name: 4-chloro-3-(7H-purin-6-yloxy)aniline 4-chloro-3-(7H-purin-6-yloxy)ani…

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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) 1.38 3.68 -14.34 3 6 0 90 261.672 2 ↓
Mid Mid (pH 6-8) 1.38 3.18 -43.73 2 6 -1 88 260.664 2 ↓

Analogs

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Popular Name: 3-amino-4-(7H-purin-6-yloxy)benzonitrile 3-amino-4-(7H-purin-6-yloxy)benz…

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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) 0.87 3.65 -12.66 3 7 0 114 252.237 2 ↓
Mid Mid (pH 6-8) 0.87 3.15 -37.45 2 7 -1 112 251.229 2 ↓

Analogs

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Popular Name: 5-amino-2-(7H-purin-6-yloxy)benzonitrile 5-amino-2-(7H-purin-6-yloxy)benz…

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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 3.54 -17.32 3 7 0 114 252.237 2 ↓
Mid Mid (pH 6-8) 0.46 3.04 -48.08 2 7 -1 112 251.229 2 ↓

Analogs

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Popular Name: 4-(7H-purin-6-yloxy)-3-(trifluoromethyl)aniline 4-(7H-purin-6-yloxy)-3-(trifluor…

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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) 1.60 4.1 -15.35 3 6 0 90 295.224 3 ↓
Mid Mid (pH 6-8) 1.60 3.59 -45.79 2 6 -1 88 294.216 3 ↓

Analogs

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Popular Name: 6-(3-iodophenoxy)-7H-purine 6-(3-iodophenoxy)-7H-purine

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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) 2.76 6.41 -11.76 1 5 0 64 338.108 2 ↓
Mid Mid (pH 6-8) 2.76 5.91 -39.07 0 5 -1 62 337.1 2 ↓

Analogs

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Popular Name: 6-(4-iodophenoxy)-7H-purine 6-(4-iodophenoxy)-7H-purine

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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) 2.78 6.42 -10.77 1 5 0 64 338.108 2 ↓
Mid Mid (pH 6-8) 2.78 5.91 -37.43 0 5 -1 62 337.1 2 ↓

Parameters Provided:

ring.id = 330397
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 = 330397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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