UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 3.37 10.05 -7.6 0 4 0 46 299.349 3 ↓

Analogs

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

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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) 3.41 10.11 -8.85 0 4 0 46 281.359 3 ↓

Analogs

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Popular Name: 7-(cyclopropylmethyl)-4-methyl-2-(p-tolyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one 7-(cyclopropylmethyl)-4-methyl-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) 3.40 10.92 -8.76 0 4 0 46 293.37 3 ↓

Analogs

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

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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) 3.10 9.51 -8.89 0 4 0 46 285.322 3 ↓

Analogs

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

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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) 3.35 10.05 -8.41 0 4 0 46 299.349 3 ↓

Analogs

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Popular Name: 4-methyl-2-phenyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one 4-methyl-2-phenyl-7-propyl-5H-py…

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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) 2.96 9.44 -8.98 0 4 0 46 267.332 3 ↓

Analogs

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

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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) 3.98 12.51 -11.07 0 6 0 65 409.873 5 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one 2-(4-methoxyphenyl)-4-methyl-7-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) 3.02 8.74 -9.45 0 5 0 55 297.358 4 ↓

Analogs

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

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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) 3.62 9.96 -8.42 0 4 0 46 301.777 3 ↓

Analogs

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

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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) 3.39 10.34 -10.5 0 5 0 59 339.782 3 ↓

Analogs

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

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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) 1.02 8.1 -11.73 0 6 0 72 317.352 3 ↓
Lo Low (pH 4.5-6) 1.02 8.49 -34.83 1 6 1 73 318.36 3 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-4-methyl-7-(2-pyridylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one 2-(3-fluorophenyl)-4-methyl-7-(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) 2.45 9.95 -11.08 0 5 0 59 334.354 3 ↓
Lo Low (pH 4.5-6) 2.45 10.34 -35.31 1 5 1 60 335.362 3 ↓

Parameters Provided:

ring.id = 367673
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 = 367673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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