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

Analogs

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Popular Name: 5-(4-bromophenyl)-6-(2,2-dimethoxyethyl)-1,3-dimethyl-pyrrolo[3,4-e]pyrimidine-2,4-dione 5-(4-bromophenyl)-6-(2,2-dimetho…

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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) 2.08 8.25 -12.67 0 7 0 67 422.279 5 ↓

Analogs

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Popular Name: 5-(3-bromophenyl)-6-(4-fluorophenyl)-1,3-dimethyl-pyrrolo[3,4-e]pyrimidine-2,4-dione 5-(3-bromophenyl)-6-(4-fluorophe…

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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) 3.55 11.68 -12.93 0 5 0 49 428.261 2 ↓

Analogs

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Popular Name: 6-cyclohexyl-1,3-dimethyl-pyrrolo[3,4-e]pyrimidine-2,4-dione 6-cyclohexyl-1,3-dimethyl-pyrrol…

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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) 1.56 7.81 -11.64 0 5 0 49 261.325 1 ↓

Analogs

5150102
5150102

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Popular Name: 2-(2,4-diketo-1,3-dimethyl-5-phenyl-pyrrolo[3,4-d]pyrimidin-6-yl)acetate 2-(2,4-diketo-1,3-dimethyl-5-phe…

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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) 0.57 1.4 -47.93 0 7 -1 89 312.305 3 ↓

Analogs

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Popular Name: 6-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone 6-(2-hydroxyethyl)-5-(4-methoxyp…

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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 -0.88 -14.19 1 7 0 78 329.356 4 ↓

Analogs

2377923
2377923

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Popular Name: 1,3-dimethyl-5-phenyl-6-(3-pyridylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-quinone 1,3-dimethyl-5-phenyl-6-(3-pyrid…

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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) 1.68 10.01 -18.03 0 6 0 62 346.39 3 ↓

Analogs

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Popular Name: 1,3-dimethyl-5-(m-tolyl)-6-propyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone 1,3-dimethyl-5-(m-tolyl)-6-propy…

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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) 2.63 10.18 -13.53 0 5 0 49 311.385 3 ↓

Analogs

2400608
2400608

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Popular Name: 6-(2-hydroxyethyl)-1,3-dimethyl-5-(m-tolyl)pyrrolo[3,4-d]pyrimidine-2,4-quinone 6-(2-hydroxyethyl)-1,3-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) 1.12 6.08 -13.87 1 6 0 69 313.357 3 ↓

Analogs

4301685
4301685

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Popular Name: 1,3-dimethyl-5-phenyl-6-(2-pyridylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-quinone 1,3-dimethyl-5-phenyl-6-(2-pyrid…

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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) 1.75 9.98 -15.52 0 6 0 62 346.39 3 ↓

Analogs

8587530
8587530

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Popular Name: 5-(3-bromophenyl)-6-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-1,3-dimethyl-pyrrolo[3,4-e]pyrimidine-2, 5-(3-bromophenyl)-6-[2-hydroxy-1…

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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) 0.27 0.46 -17.37 3 8 0 110 438.278 5 ↓

Parameters Provided:

ring.id = 66933
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 = 66933 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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