UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(4-methoxyphenyl)-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(4-methoxyphenyl)-2-(methylami…

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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) 1.66 5.56 -11.28 1 6 0 67 270.292 3 ↓

Analogs

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Popular Name: 6-(4-bromophenyl)-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(4-bromophenyl)-2-(methylamino…

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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) 2.41 6.9 -10.04 1 5 0 58 319.162 2 ↓

Analogs

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Popular Name: 6-(3,5-dimethylphenyl)-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(3,5-dimethylphenyl)-2-(methyl…

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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) 2.43 7.6 -10.6 1 5 0 58 268.32 2 ↓

Analogs

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Popular Name: 6-(3-methoxyphenyl)-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(3-methoxyphenyl)-2-(methylami…

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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) 1.63 5.57 -14.05 1 6 0 67 270.292 3 ↓

Analogs

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Popular Name: 6-(3,4-dimethylphenyl)-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(3,4-dimethylphenyl)-2-(methyl…

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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) 2.43 7.5 -10.87 1 5 0 58 268.32 2 ↓

Analogs

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Popular Name: 6-(3-fluoro-4-methyl-phenyl)-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(3-fluoro-4-methyl-phenyl)-2-(…

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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) 2.14 6.99 -8.98 1 5 0 58 272.283 2 ↓

Analogs

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Popular Name: 2-(methylamino)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one 2-(methylamino)-6-[4-(trifluorom…

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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) 2.57 6.05 -11.34 1 6 0 67 324.262 4 ↓

Analogs

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Popular Name: 6-(4-ethylphenyl)-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(4-ethylphenyl)-2-(methylamino…

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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) 2.52 7.72 -10.4 1 5 0 58 268.32 3 ↓

Analogs

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Popular Name: 6-(4-isopropylphenyl)-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(4-isopropylphenyl)-2-(methyla…

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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) 3.11 8.19 -10.27 1 5 0 58 282.347 3 ↓

Analogs

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Popular Name: 6-(4-butylphenyl)-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(4-butylphenyl)-2-(methylamino…

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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) 3.46 9.28 -10.31 1 5 0 58 296.374 5 ↓

Analogs

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Popular Name: 2-(ethylamino)-6-(4-fluorophenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one 2-(ethylamino)-6-(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) 2.14 7.16 -10.06 1 5 0 58 272.283 3 ↓

Analogs

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Popular Name: 2-(ethylamino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one 2-(ethylamino)-6-(3-methoxypheny…

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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) 2.01 6.4 -13.44 1 6 0 67 284.319 4 ↓

Analogs

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Popular Name: 6-(3,4-dimethylphenyl)-2-(ethylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(3,4-dimethylphenyl)-2-(ethyla…

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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) 2.80 8.31 -10.28 1 5 0 58 282.347 3 ↓

Analogs

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Popular Name: 2-(ethylamino)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one 2-(ethylamino)-6-[4-(trifluorome…

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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) 2.95 6.88 -10.77 1 6 0 67 338.289 5 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)-2-(ethylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(4-chlorophenyl)-2-(ethylamino…

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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) 2.65 7.62 -9.5 1 5 0 58 288.738 3 ↓

Analogs

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Popular Name: 2-(ethylamino)-6-(4-ethylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one 2-(ethylamino)-6-(4-ethylphenyl)…

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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) 2.89 8.55 -9.89 1 5 0 58 282.347 4 ↓

Analogs

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Popular Name: 2-(ethylamino)-6-(4-isopropylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one 2-(ethylamino)-6-(4-isopropylphe…

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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) 3.49 9.02 -9.72 1 5 0 58 296.374 4 ↓

Analogs

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Popular Name: 6-(4-butylphenyl)-2-(ethylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one 6-(4-butylphenyl)-2-(ethylamino)…

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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) 3.84 10.11 -9.73 1 5 0 58 310.401 6 ↓

Parameters Provided:

ring.id = 170860
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 = 170860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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