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

Analogs

21644815
21644815
21644846
21644846
21644869
21644869

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Popular Name: N-butyl-N-methyl-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-buta N-butyl-N-methyl-4-[2-(1-methylp…

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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) 1.26 10.5 -17.18 0 7 0 63 371.485 7 ↓

Analogs

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Popular Name: N-isopropyl-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-butanamid N-isopropyl-4-[2-(1-methylpyrrol…

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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) 0.25 7.61 -18.31 1 7 0 72 343.431 5 ↓

Analogs

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Popular Name: 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-N-propyl-butanamide 4-[2-(1-methylpyrrol-2-yl)-6,7-d…

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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) 0.46 7.55 -18.38 1 7 0 72 343.431 6 ↓

Analogs

21644680
21644680

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Popular Name: N-isopentyl-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-butanamid N-isopentyl-4-[2-(1-methylpyrrol…

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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) 1.23 8.84 -18.23 1 7 0 72 371.485 7 ↓

Analogs

21644690
21644690

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Popular Name: N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-bu N-(2-methoxyethyl)-4-[2-(1-methy…

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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) -0.44 5.85 -18.69 1 8 0 81 359.43 7 ↓

Analogs

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Popular Name: N-(3-ethoxypropyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-bu N-(3-ethoxypropyl)-4-[2-(1-methy…

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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) 0.21 7.58 -19.17 1 8 0 81 387.484 9 ↓

Analogs

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Popular Name: N-allyl-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-butanamide N-allyl-4-[2-(1-methylpyrrol-2-y…

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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) 0.22 7.36 -18.21 1 7 0 72 341.415 6 ↓

Analogs

21644839
21644839
21644851
21644851
21644857
21644857
21644869
21644869

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-butanamide N-butyl-4-[2-(1-methylpyrrol-2-y…

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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) 1.01 8.32 -18.25 1 7 0 72 357.458 7 ↓

Parameters Provided:

ring.id = 87531
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 = 87531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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