UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-ethyl]

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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) 2.96 10.84 -16.91 1 8 0 102 470.909 8 ↓

Analogs

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Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-ethyl]

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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) 2.96 10.9 -16.98 1 8 0 102 470.909 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-ethyl]

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.96 10.92 -16.96 1 8 0 102 470.909 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-ethyl]

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.96 10.84 -16.91 1 8 0 102 470.909 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-chlorophenyl)-2-oxo-ethyl] [2-(2-chlorophenyl)-2-oxo-ethyl]

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.91 10.75 -19.66 1 8 0 102 470.909 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-chlorophenyl)-2-oxo-ethyl] [2-(2-chlorophenyl)-2-oxo-ethyl]

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.91 10.81 -19.81 1 8 0 102 470.909 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-chlorophenyl)-2-oxo-ethyl] [2-(2-chlorophenyl)-2-oxo-ethyl]

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.91 10.83 -19.75 1 8 0 102 470.909 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-chlorophenyl)-2-oxo-ethyl] [2-(2-chlorophenyl)-2-oxo-ethyl]

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.91 10.75 -19.78 1 8 0 102 470.909 8 ↓

Analogs

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Popular Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] [2-(4-ethoxyphenyl)-2-oxo-ethyl]

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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) 2.71 10.56 -18.38 1 9 0 111 480.517 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] [2-(4-ethoxyphenyl)-2-oxo-ethyl]

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.71 10.62 -18.47 1 9 0 111 480.517 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] [2-(4-ethoxyphenyl)-2-oxo-ethyl]

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.71 10.64 -18.44 1 9 0 111 480.517 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] [2-(4-ethoxyphenyl)-2-oxo-ethyl]

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.71 10.56 -18.41 1 9 0 111 480.517 10 ↓

Analogs

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Popular Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] [2-(3,4-dimethoxyphenyl)-2-oxo-e…

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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) 1.92 9.54 -21.24 1 10 0 120 496.516 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] [2-(3,4-dimethoxyphenyl)-2-oxo-e…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.92 9.6 -21.32 1 10 0 120 496.516 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] [2-(3,4-dimethoxyphenyl)-2-oxo-e…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.92 9.62 -21.21 1 10 0 120 496.516 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] [2-(3,4-dimethoxyphenyl)-2-oxo-e…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.92 9.54 -21.29 1 10 0 120 496.516 10 ↓

Parameters Provided:

ring.id = 111376
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 = 111376 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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