UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11816631
11816631

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Popular Name: (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-(p-tolylmethyl)piperidine-3-carboxamide (3R)-1-[(4-chlorophenyl)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) 3.47 -0.96 -10.24 1 4 0 49 370.88 5 ↓

Analogs

11816630
11816630

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Popular Name: (3S)-1-[(4-chlorophenyl)methyl]-6-oxo-N-(p-tolylmethyl)piperidine-3-carboxamide (3S)-1-[(4-chlorophenyl)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) 3.47 -0.97 -10.26 1 4 0 49 370.88 5 ↓

Analogs

11842237
11842237
39676668
39676668
39676714
39676714
39676715
39676715
39678456
39678456

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Popular Name: (3R)-1-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-piperidine-3-carboxamide (3R)-1-[(3-fluorophenyl)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) 2.76 10.03 -14.63 0 5 0 50 384.451 6 ↓

Analogs

39676668
39676668
39676714
39676714
39676715
39676715
39678456
39678456
39678457
39678457

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Popular Name: (3S)-1-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-piperidine-3-carboxamide (3S)-1-[(3-fluorophenyl)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) 2.76 9.99 -15.85 0 5 0 50 384.451 6 ↓

Analogs

11843154
11843154

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Popular Name: (3R)-N-[(3-methylsulfanylphenyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carb (3R)-N-[(3-methylsulfanylphenyl)…

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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) 3.62 10.84 -11.55 1 4 0 49 436.499 7 ↓

Analogs

11843153
11843153

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Popular Name: (3S)-N-[(3-methylsulfanylphenyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carb (3S)-N-[(3-methylsulfanylphenyl)…

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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) 3.62 10.85 -12.11 1 4 0 49 436.499 7 ↓

Analogs

12004350
12004350
39638439
39638439
39638440
39638440
39638673
39638673
39638674
39638674

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Popular Name: (3S)-N-[(5-fluoro-2-methyl-phenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxo-piperidine-3-carboxamide (3S)-N-[(5-fluoro-2-methyl-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) 2.89 9.12 -12.48 1 5 0 59 384.451 6 ↓

Analogs

39638439
39638439
39638440
39638440
39638673
39638673
39638674
39638674
39639141
39639141

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Popular Name: (3R)-N-[(5-fluoro-2-methyl-phenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxo-piperidine-3-carboxamide (3R)-N-[(5-fluoro-2-methyl-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) 2.89 9.2 -12.31 1 5 0 59 384.451 6 ↓

Analogs

12027182
12027182
39638405
39638405
39638406
39638406
39638637
39638637
39638638
39638638

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Popular Name: (3S)-N-[(2,6-difluoro-3-methyl-phenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxo-piperidine-3-carboxa (3S)-N-[(2,6-difluoro-3-methyl-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) 2.98 8.95 -13.07 1 5 0 59 402.441 6 ↓

Analogs

39638405
39638405
39638406
39638406
39638637
39638637
39638638
39638638
39639111
39639111

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Popular Name: (3R)-N-[(2,6-difluoro-3-methyl-phenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxo-piperidine-3-carboxa (3R)-N-[(2,6-difluoro-3-methyl-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) 2.98 9.04 -12.8 1 5 0 59 402.441 6 ↓

Parameters Provided:

ring.id = 49224
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 = 49224 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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