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

Analogs

13010100
13010100
32051200
32051200
32051204
32051204
36626170
36626170
43007526
43007526

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one (4R)-1-benzyl-4-(4-benzylpiperaz…

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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 9.36 -11.93 0 5 0 44 377.488 5 ↓
Mid Mid (pH 6-8) 2.21 11.56 -53.9 1 5 1 45 378.496 5 ↓

Analogs

32051200
32051200
32051204
32051204
36626170
36626170
43007526
43007526
43007528
43007528

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one (4S)-1-benzyl-4-(4-benzylpiperaz…

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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 9.36 -13.03 0 5 0 44 377.488 5 ↓
Mid Mid (pH 6-8) 2.21 11.56 -55.38 1 5 1 45 378.496 5 ↓

Analogs

58294224
58294224
12567890
12567890
12567891
12567891

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Popular Name: (4R)-1-[(3-chloro-4-fluoro-phenyl)methyl]-4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrroli (4R)-1-[(3-chloro-4-fluoro-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) 3.65 10.45 -12.11 0 5 0 44 464.368 5 ↓
Mid Mid (pH 6-8) 3.65 12.65 -58.7 1 5 1 45 465.376 5 ↓

Analogs

58294224
58294224
12567890
12567890
12567891
12567891

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(3-chloro-4-fluoro-phenyl)methyl]-4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrroli (4S)-1-[(3-chloro-4-fluoro-pheny…

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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) 3.65 10.44 -14 0 5 0 44 464.368 5 ↓
Mid Mid (pH 6-8) 3.65 12.64 -61.22 1 5 1 45 465.376 5 ↓

Analogs

35686367
35686367
35686366
35686366

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(4-chlorophenyl)methyl]-4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one (4R)-1-[(4-chlorophenyl)methyl]-…

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) 3.56 10.39 -12.29 0 5 0 44 446.378 5 ↓
Mid Mid (pH 6-8) 3.56 12.61 -58.93 1 5 1 45 447.386 5 ↓

Analogs

35686367
35686367
35686366
35686366

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(4-chlorophenyl)methyl]-4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one (4S)-1-[(4-chlorophenyl)methyl]-…

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) 3.56 10.4 -13.49 0 5 0 44 446.378 5 ↓
Mid Mid (pH 6-8) 3.56 12.61 -60.66 1 5 1 45 447.386 5 ↓

Parameters Provided:

ring.id = 110490
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 = 110490 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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