UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38583416
38583416

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Popular Name: (3R)-N-[(1-benzyl-4-piperidyl)methyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[(1-benzyl-4-piperidyl)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) 2.71 11.35 -52.74 2 5 1 54 392.523 6 ↓

Analogs

38583413
38583413

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Popular Name: (3S)-N-[(1-benzyl-4-piperidyl)methyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[(1-benzyl-4-piperidyl)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) 2.71 11.43 -55.02 2 5 1 54 392.523 6 ↓

Analogs

38583451
38583451

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Popular Name: (3R)-N-[(1-benzyl-4-piperidyl)methyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide (3R)-N-[(1-benzyl-4-piperidyl)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) 3.16 12.04 -53.14 2 5 1 54 406.55 6 ↓

Analogs

38583448
38583448

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Popular Name: (3S)-N-[(1-benzyl-4-piperidyl)methyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide (3S)-N-[(1-benzyl-4-piperidyl)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) 3.16 12.08 -56.48 2 5 1 54 406.55 6 ↓

Analogs

38583460
38583460
32164843
32164843

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Popular Name: (3R)-N-[(1-benzyl-4-piperidyl)methyl]-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[(1-benzyl-4-piperidyl)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) 2.87 11.42 -53.45 2 5 1 54 410.513 6 ↓

Analogs

32164843
32164843
38583458
38583458

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Popular Name: (3S)-N-[(1-benzyl-4-piperidyl)methyl]-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1-benzyl-4-piperidyl)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) 2.87 11.5 -56.3 2 5 1 54 410.513 6 ↓

Analogs

38583478
38583478

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Popular Name: (3R)-N-[(1-benzyl-4-piperidyl)methyl]-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[(1-benzyl-4-piperidyl)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) 3.53 12.58 -52.97 2 5 1 54 420.577 6 ↓

Analogs

38583475
38583475

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Popular Name: (3S)-N-[(1-benzyl-4-piperidyl)methyl]-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1-benzyl-4-piperidyl)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) 3.53 12.62 -55.6 2 5 1 54 420.577 6 ↓

Analogs

38583484
38583484
34683456
34683456
34683434
34683434
34683433
34683433
34682859
34682859

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Popular Name: (3R)-N-[(1-benzyl-4-piperidyl)methyl]-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[(1-benzyl-4-piperidyl)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) 2.74 10.65 -56.14 2 6 1 63 422.549 7 ↓

Analogs

34683456
34683456
34683434
34683434
34683433
34683433
34683182
34683182
34683250
34683250

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Popular Name: (3S)-N-[(1-benzyl-4-piperidyl)methyl]-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1-benzyl-4-piperidyl)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) 2.74 10.69 -59.5 2 6 1 63 422.549 7 ↓

Analogs

38583487
38583487
34682786
34682786
34682791
34682791

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Popular Name: (3R)-N-[(1-benzyl-4-piperidyl)methyl]-1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[(1-benzyl-4-piperidyl)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) 2.76 10.64 -53.93 2 6 1 63 422.549 7 ↓

Analogs

38583486
38583486

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Popular Name: (3S)-N-[(1-benzyl-4-piperidyl)methyl]-1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1-benzyl-4-piperidyl)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) 2.76 10.68 -57.12 2 6 1 63 422.549 7 ↓

Analogs

38583493
38583493

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Popular Name: (3R)-N-[(1-benzyl-4-piperidyl)methyl]-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[(1-benzyl-4-piperidyl)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) 3.39 11.87 -52.91 2 5 1 54 426.968 6 ↓

Analogs

38583492
38583492

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Popular Name: (3S)-N-[(1-benzyl-4-piperidyl)methyl]-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[(1-benzyl-4-piperidyl)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) 3.39 11.95 -55.73 2 5 1 54 426.968 6 ↓

Parameters Provided:

ring.id = 593197
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 = 593197 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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