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

Analogs

12538479
12538479
10250291
10250291
10250293
10250293
9243190
9243190

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Popular Name: (7R)-3-benzyl-9-(4-fluorophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (7R)-3-benzyl-9-(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) 4.55 15.42 -11.26 0 7 0 65 419.46 3 ↓

Analogs

12538475
12538475
10250291
10250291

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Popular Name: (7S)-3-benzyl-9-(4-fluorophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (7S)-3-benzyl-9-(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) 4.55 15.48 -11.18 0 7 0 65 419.46 3 ↓

Analogs

10104952
10104952

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Popular Name: 3-[(2-fluorophenyl)methyl]-1-methyl-9-(o-tolyl)-7,8-dihydro-6H-purino[8,7-b]pyrimidine-2,4-dione 3-[(2-fluorophenyl)methyl]-1-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) 4.43 15.53 -12.73 0 7 0 65 419.46 3 ↓

Analogs

12538642
12538642
9124705
9124705

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Popular Name: 3-benzyl-9-(4-fluorophenyl)-1-methyl-7,8-dihydro-6H-purino[8,7-b]pyrimidine-2,4-dione 3-benzyl-9-(4-fluorophenyl)-1-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) 4.07 14.89 -12.23 0 7 0 65 405.433 3 ↓

Analogs

10104953
10104953

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluorophenyl)methyl]-1-methyl-9-(o-tolyl)-7,8-dihydro-6H-purino[8,7-b]pyrimidine-2,4-dione 3-[(4-fluorophenyl)methyl]-1-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) 4.47 15.59 -10.3 0 7 0 65 419.46 3 ↓

Analogs

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Popular Name: 9-(4-fluorophenyl)-1-methyl-3-(m-tolylmethyl)-7,8-dihydro-6H-purino[8,7-b]pyrimidine-2,4-dione 9-(4-fluorophenyl)-1-methyl-3-(m…

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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) 4.50 15.56 -12.45 0 7 0 65 419.46 3 ↓

Analogs

12538506
12538506

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(4-fluorophenyl)-1-methyl-3-(p-tolylmethyl)-7,8-dihydro-6H-purino[8,7-b]pyrimidine-2,4-dione 9-(4-fluorophenyl)-1-methyl-3-(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) 4.52 15.57 -12.33 0 7 0 65 419.46 3 ↓

Parameters Provided:

ring.id = 105361
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 = 105361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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