UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-methoxyphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide 2-(3-methoxyphenoxy)-N-[2-(4-phe…

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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) 2.75 6.47 -16.49 1 6 0 54 369.465 8 ↓

Analogs

56965635
56965635

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Popular Name: 2-(4-isopropylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide 2-(4-isopropylphenoxy)-N-[2-(4-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) 4.23 9.09 -13.36 1 5 0 45 381.52 8 ↓

Analogs

56965651
56965651
25467290
25467290

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Popular Name: 2-(4-ethoxyphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide 2-(4-ethoxyphenoxy)-N-[2-(4-phen…

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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) 3.15 7.38 -14.37 1 6 0 54 383.492 9 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide 2-(4-chlorophenoxy)-2-methyl-N-[…

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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) 4.21 8.55 -11.47 1 5 0 45 401.938 7 ↓

Analogs

56965846
56965846
26526611
26526611

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Popular Name: 2-(4-isopropylphenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide 2-(4-isopropylphenoxy)-N-[2-[4-(…

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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) 4.24 8.9 -13.73 1 6 0 54 411.546 9 ↓

Analogs

56965802
56965802
56965861
56965861
5094225
5094225
6248391
6248391
38280803
38280803

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Popular Name: 2-(4-ethoxyphenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide 2-(4-ethoxyphenoxy)-N-[2-[4-(2-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) 3.16 7.18 -15.55 1 7 0 63 413.518 10 ↓

Parameters Provided:

ring.id = 174917
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 = 174917 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=174917&filter.purchasability=annotated

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