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

Analogs

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Popular Name: 6-benzyl-5-[(3-chlorophenyl)methylsulfanyl]-1-methyl-pyrazolo[4,3-d]pyrimidin-7-one 6-benzyl-5-[(3-chlorophenyl)meth…

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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) 5.31 11.38 -9.97 0 5 0 53 396.903 5 ↓

Analogs

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Popular Name: 6-benzyl-5-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-1-methyl-pyrazolo[4,3-d]pyrimidin-7-one 6-benzyl-5-[(2-chloro-4-fluoro-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) 5.42 11.38 -10.35 0 5 0 53 414.893 5 ↓

Analogs

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Popular Name: 6-benzyl-5-[(3-methoxyphenyl)methylsulfanyl]-1-methyl-pyrazolo[4,3-d]pyrimidin-7-one 6-benzyl-5-[(3-methoxyphenyl)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) 4.69 10.17 -10.74 0 6 0 62 392.484 6 ↓

Analogs

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Popular Name: 6-benzyl-5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-pyrazolo[4,3-d]pyrimidin-7-one 6-benzyl-5-[(4-methoxyphenyl)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) 4.71 10.17 -10.68 0 6 0 62 392.484 6 ↓

Analogs

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Popular Name: methyl 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) 4.81 10.9 -13.42 0 8 0 88 450.52 8 ↓

Analogs

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Popular Name: 3-[[1-ethyl-3-methyl-7-oxo-6-(p-tolylmethyl)pyrazolo[4,3-d]pyrimidin-5-yl]sulfanylmethyl]-4-methoxy- 3-[[1-ethyl-3-methyl-7-oxo-6-(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) 5.48 12.12 -14.93 0 7 0 79 462.575 8 ↓

Analogs

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Popular Name: 3-[[6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanylmethyl]- 3-[[6-[(4-chlorophenyl)methyl]-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) 5.71 11.95 -14.35 0 7 0 79 482.993 8 ↓

Analogs

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Popular Name: 3-[[1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanylmethyl] 3-[[1-ethyl-6-[(4-methoxyphenyl)…

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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) 5.08 10.74 -15.36 0 8 0 88 478.574 9 ↓

Analogs

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Popular Name: 3-[[6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanylmethyl]- 3-[[6-[(2-chlorophenyl)methyl]-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) 5.66 11.74 -15.83 0 7 0 79 482.993 8 ↓

Analogs

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Popular Name: 3-[[1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanylmethyl]- 3-[[1-ethyl-6-[(4-fluorophenyl)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) 5.19 11.5 -14.8 0 7 0 79 466.538 8 ↓

Parameters Provided:

ring.id = 390372
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 = 390372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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