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

Analogs

20943985
20943985

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Popular Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4 N-[3-[4-(3-chlorophenyl)piperazi…

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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 9.94 -60.08 2 8 1 75 474.029 8 ↓
Mid Mid (pH 6-8) 1.81 7.64 -17.53 1 8 0 74 473.021 8 ↓

Analogs

20944467
20944467

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Popular Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin- N-[3-[4-(4-methoxyphenyl)piperaz…

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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) 1.21 8.74 -60.21 2 9 1 84 469.61 9 ↓
Mid Mid (pH 6-8) 1.21 6.44 -18.71 1 9 0 83 468.602 9 ↓

Analogs

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Popular Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4 N-[3-[4-(4-fluorophenyl)piperazi…

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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) 1.32 9.5 -61.5 2 8 1 75 457.574 8 ↓
Mid Mid (pH 6-8) 1.32 7.19 -17.95 1 8 0 74 456.566 8 ↓

Analogs

20943985
20943985

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Popular Name: N-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]p N-[3-[4-(5-chloro-2-methyl-pheny…

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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) 2.21 11.12 -57.83 2 8 1 75 488.056 8 ↓
Mid Mid (pH 6-8) 2.21 8.81 -16.92 1 8 0 74 487.048 8 ↓

Analogs

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Popular Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimid N-[3-[4-(2,5-dimethylphenyl)pipe…

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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) 1.98 11.63 -57.3 2 8 1 75 467.638 8 ↓
Mid Mid (pH 6-8) 1.98 9.32 -16.88 1 8 0 74 466.63 8 ↓

Parameters Provided:

ring.id = 87428
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 = 87428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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