UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10508292
10508292
10508590
10508590
10508596
10508596

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Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, propyl ester 2-piperazineacetic acid, 3-oxo-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) 2.92 -0.37 -18.19 1 7 0 84 424.497 10 ↓

Analogs

10508590
10508590
10508596
10508596
10508287
10508287

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, propyl ester 2-piperazineacetic acid, 3-oxo-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) 2.92 0.17 -20.79 1 7 0 84 424.497 10 ↓

Analogs

10508596
10508596
10508287
10508287
10508292
10508292

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, butyl ester 2-piperazineacetic acid, 3-oxo-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) 3.48 -0.25 -18.02 1 7 0 84 438.524 11 ↓

Analogs

10508287
10508287
10508292
10508292
10508590
10508590

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, butyl ester 2-piperazineacetic acid, 3-oxo-1…

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) 3.48 0.29 -20.6 1 7 0 84 438.524 11 ↓

Analogs

10508606
10508606
10508349
10508349
10508342
10508342

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 2-methoxyethyl ester 2-piperazineacetic acid, 3-oxo-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) 1.84 -1.08 -20.42 1 8 0 94 440.496 11 ↓

Analogs

10508349
10508349
10508602
10508602
10508342
10508342

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 2-methoxyethyl ester 2-piperazineacetic acid, 3-oxo-1…

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) 1.84 -0.53 -22.83 1 8 0 94 440.496 11 ↓

Analogs

10508625
10508625

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 2-methylpropyl ester 2-piperazineacetic acid, 3-oxo-1…

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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) 3.17 -0.06 -18 1 7 0 84 438.524 10 ↓

Analogs

10508621
10508621

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 2-methylpropyl ester 2-piperazineacetic acid, 3-oxo-1…

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) 3.17 0.48 -20.75 1 7 0 84 438.524 10 ↓

Analogs

10508647
10508647

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Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, pentyl ester 2-piperazineacetic acid, 3-oxo-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) 3.99 -0.13 -17.92 1 7 0 84 452.551 12 ↓

Analogs

10508641
10508641

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, pentyl ester 2-piperazineacetic acid, 3-oxo-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) 3.99 0.41 -20.63 1 7 0 84 452.551 12 ↓

Analogs

10508670
10508670

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 3-methylbutyl ester 2-piperazineacetic acid, 3-oxo-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) 3.70 0.17 -18.54 1 7 0 84 452.551 11 ↓

Analogs

10508664
10508664

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 3-methylbutyl ester 2-piperazineacetic acid, 3-oxo-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) 3.70 0.6 -20.6 1 7 0 84 452.551 11 ↓

Analogs

10508716
10508716
10508719
10508719
10508725
10508725

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 1-methylpropyl ester 2-piperazineacetic acid, 3-oxo-1…

Find On: PubMed — Wikipedia — Google

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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) 3.29 -0.03 -17.88 1 7 0 84 438.524 10 ↓

Analogs

10508719
10508719
10508725
10508725
10508711
10508711

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 1-methylpropyl ester 2-piperazineacetic acid, 3-oxo-1…

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) 3.29 0.07 -16.62 1 7 0 84 438.524 10 ↓

Analogs

10508725
10508725
10508711
10508711
10508716
10508716

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 1-methylpropyl ester 2-piperazineacetic acid, 3-oxo-1…

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) 3.29 0.5 -20.81 1 7 0 84 438.524 10 ↓

Analogs

10508711
10508711
10508716
10508716
10508719
10508719

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[2-(2-phenylethoxy)benzoyl]-, 1-methylpropyl ester 2-piperazineacetic acid, 3-oxo-1…

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) 3.29 0.5 -20.85 1 7 0 84 438.524 10 ↓

Parameters Provided:

ring.id = 9562
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 = 9562 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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