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

Analogs

21645778
21645778

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Popular Name: 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-N-sec-butyl-butanamide 4-[2-(1-methylindol-3-yl)-6,7-di…

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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 11.01 -20.11 1 7 0 72 407.518 6 ↓

Analogs

21645778
21645778

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-N-sec-butyl-butanamide 4-[2-(1-methylindol-3-yl)-6,7-di…

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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 11.01 -20.1 1 7 0 72 407.518 6 ↓

Analogs

21645731
21645731
21645744
21645744
21645855
21645855

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Popular Name: N-(2-dimethylaminoethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-o N-(2-dimethylaminoethyl)-4-[2-(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) 0.96 10.67 -56.57 2 8 1 77 423.541 7 ↓
Hi High (pH 8-9.5) 0.96 8.13 -21.08 1 8 0 75 422.533 7 ↓

Analogs

21645778
21645778

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Popular Name: N-isopropyl-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-butanamide N-isopropyl-4-[2-(1-methylindol-…

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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) 1.61 10.07 -20.27 1 7 0 72 393.491 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-N-propyl-butanamide 4-[2-(1-methylindol-3-yl)-6,7-di…

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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) 1.81 10.08 -19.12 1 7 0 72 393.491 6 ↓

Analogs

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Popular Name: N-isopentyl-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-butanamide N-isopentyl-4-[2-(1-methylindol-…

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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) 2.59 11.3 -20.29 1 7 0 72 421.545 7 ↓

Analogs

21645838
21645838
21645844
21645844

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Popular Name: N-(3-ethoxypropyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-but 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) 1.57 10.04 -21.15 1 8 0 81 437.544 9 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-bu N-(3-methoxypropyl)-4-[2-(1-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) 1.19 9.08 -21.23 1 8 0 81 423.517 8 ↓

Analogs

21645800
21645800

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Popular Name: N-butyl-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl]-4-oxo-butanamide N-butyl-4-[2-(1-methylindol-3-yl…

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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) 2.37 10.78 -20.23 1 7 0 72 407.518 7 ↓

Parameters Provided:

ring.id = 87702
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 = 87702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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