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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

20829890
20829890

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Popular Name: 2-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridyl]acetamide 2-[5-methoxy-2-[(4-methylpiperaz…

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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) -1.56 3.03 -59.7 3 7 1 82 295.363 5 ↓
Mid Mid (pH 6-8) -1.56 0.56 -28.27 2 7 0 81 294.355 5 ↓
Mid Mid (pH 6-8) -1.56 2.18 -61.04 3 7 1 82 295.363 5 ↓

Analogs

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Popular Name: 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridyl]-N-propyl-acetamide 2-[2-[(4-acetylpiperazin-1-yl)me…

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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) -0.94 5.09 -37.94 1 8 0 84 364.446 7 ↓

Analogs

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Popular Name: 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridyl]-N-isopropyl-acetamide 2-[2-[(4-acetylpiperazin-1-yl)me…

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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) -1.15 4.57 -35.81 1 8 0 84 364.446 6 ↓

Analogs

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Popular Name: 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridyl]-N-tert-butyl-acetamide 2-[2-[(4-acetylpiperazin-1-yl)me…

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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) -0.64 4.99 -30.03 1 8 0 84 378.473 6 ↓

Analogs

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Popular Name: 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridyl]-N-allyl-acetamide 2-[2-[(4-acetylpiperazin-1-yl)me…

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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) -1.18 4.81 -30.38 1 8 0 84 362.43 7 ↓

Parameters Provided:

ring.id = 107062
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 = 107062 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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