UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11840751
11840751

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Popular Name: N-methyl-N-(1-methyl-4-piperidyl)-3-[(3S)-1-[[3-(trifluoromethyl)phenyl]methyl]-3-piperidyl]propanam N-methyl-N-(1-methyl-4-piperidyl…

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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 4.02 -89.38 2 4 2 29 427.555 7 ↓

Analogs

11840749
11840749

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Popular Name: N-methyl-N-(1-methyl-4-piperidyl)-3-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]-3-piperidyl]propanam N-methyl-N-(1-methyl-4-piperidyl…

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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 3.92 -89.11 2 4 2 29 427.555 7 ↓

Analogs

11842299
11842299

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Popular Name: 3-[(3S)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanami 3-[(3S)-1-[(4-chloro-3-fluoro-ph…

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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) 3.60 2.16 -94.33 2 4 2 29 411.993 6 ↓

Analogs

11842298
11842298

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Popular Name: 3-[(3R)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanami 3-[(3R)-1-[(4-chloro-3-fluoro-ph…

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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) 3.60 2.32 -92.94 2 4 2 29 411.993 6 ↓

Analogs

11997035
11997035

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Popular Name: N-methyl-N-(1-methyl-4-piperidyl)-3-[(3S)-1-[(2,4,5-trimethylphenyl)methyl]-3-piperidyl]propanamide N-methyl-N-(1-methyl-4-piperidyl…

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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) 4.03 2.34 -85.51 2 4 2 29 401.639 6 ↓

Analogs

11997033
11997033

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Popular Name: N-methyl-N-(1-methyl-4-piperidyl)-3-[(3R)-1-[(2,4,5-trimethylphenyl)methyl]-3-piperidyl]propanamide N-methyl-N-(1-methyl-4-piperidyl…

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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) 4.03 2.86 -83.18 2 4 2 29 401.639 6 ↓

Analogs

11999651
11999651
12431574
12431574
12431575
12431575

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Popular Name: 3-[(3S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propana 3-[(3S)-1-[(3-hydroxy-4-methoxy-…

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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) 2.17 -0.03 -91.54 3 6 2 59 405.583 7 ↓

Analogs

12431574
12431574
12431575
12431575
11999648
11999648

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Popular Name: 3-[(3R)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propana 3-[(3R)-1-[(3-hydroxy-4-methoxy-…

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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) 2.17 0.13 -89.52 3 6 2 59 405.583 7 ↓

Analogs

12000987
12000987

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Popular Name: N-methyl-N-(1-methyl-4-piperidyl)-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-piperidyl]propanam N-methyl-N-(1-methyl-4-piperidyl…

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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) 3.72 4 -91.18 2 4 2 29 427.555 7 ↓

Analogs

12000982
12000982

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Popular Name: N-methyl-N-(1-methyl-4-piperidyl)-3-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-piperidyl]propanam N-methyl-N-(1-methyl-4-piperidyl…

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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) 3.72 3.74 -92.83 2 4 2 29 427.555 7 ↓

Analogs

12021513
12021513
34931531
34931531
34947438
34947438
34947440
34947440
34947447
34947447

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Popular Name: 3-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanam 3-[(3S)-1-[[4-(2-hydroxyethoxy)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) 2.25 -0.93 -89.31 3 6 2 59 419.61 9 ↓

Analogs

34931531
34931531
34947438
34947438
34947440
34947440
34947447
34947447
34947449
34947449

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Popular Name: 3-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanam 3-[(3R)-1-[[4-(2-hydroxyethoxy)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) 2.25 -1.19 -91.2 3 6 2 59 419.61 9 ↓

Analogs

12022948
12022948

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Popular Name: 3-[(3S)-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanam 3-[(3S)-1-[(3-ethoxy-2-hydroxy-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) 2.75 0.27 -86.06 3 6 2 59 419.61 8 ↓

Analogs

12022945
12022945

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Popular Name: 3-[(3R)-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanam 3-[(3R)-1-[(3-ethoxy-2-hydroxy-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) 2.75 0.37 -84.35 3 6 2 59 419.61 8 ↓

Analogs

12026858
12026858
39356844
39356844
39356845
39356845

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Popular Name: 3-[(3S)-1-[(3-fluorophenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanamide 3-[(3S)-1-[(3-fluorophenyl)methy…

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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) 2.97 2.58 -87.73 2 4 2 29 377.548 6 ↓

Analogs

39356844
39356844
39356845
39356845
12026853
12026853

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Popular Name: 3-[(3R)-1-[(3-fluorophenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanamide 3-[(3R)-1-[(3-fluorophenyl)methy…

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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) 2.97 2.48 -88.01 2 4 2 29 377.548 6 ↓

Analogs

12030465
12030465

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Popular Name: 3-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanam 3-[(3S)-1-[(3-ethoxy-4-methoxy-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) 2.85 1.93 -92.88 2 6 2 48 433.637 9 ↓

Analogs

12030461
12030461

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Popular Name: 3-[(3R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanam 3-[(3R)-1-[(3-ethoxy-4-methoxy-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) 2.85 2.09 -91.34 2 6 2 48 433.637 9 ↓

Analogs

12228281
12228281

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Popular Name: 3-[(3S)-1-[(4-ethylphenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanamide 3-[(3S)-1-[(4-ethylphenyl)methyl…

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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) 3.74 2.32 -83.46 2 4 2 29 387.612 7 ↓

Analogs

12228275
12228275

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Popular Name: 3-[(3R)-1-[(4-ethylphenyl)methyl]-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanamide 3-[(3R)-1-[(4-ethylphenyl)methyl…

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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) 3.74 2.06 -85.26 2 4 2 29 387.612 7 ↓

Parameters Provided:

ring.id = 58955
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 = 58955 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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