UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]-3-(4-piperidyl)propanamide N-[(3-nitrophenyl)methyl]-3-(4-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) 1.68 6.61 -49.83 3 6 1 92 292.359 6 ↓

Analogs

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Popular Name: 3-[1-(4,4,4-trifluorobutyl)-4-piperidyl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide 3-[1-(4,4,4-trifluorobutyl)-4-pi…

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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) 4.68 3.95 -48.1 2 3 1 34 425.437 10 ↓

Analogs

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

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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) 3.33 0.76 -15.15 1 4 0 49 416.509 9 ↓

Analogs

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Popular Name: 4-[3-(benzyl-methyl-amino)-3-oxo-propyl]-N-butyl-piperidine-1-carboxamide 4-[3-(benzyl-methyl-amino)-3-oxo…

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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) 4.23 10.5 -15.47 1 5 0 53 359.514 8 ↓

Analogs

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Popular Name: N-benzyl-3-(1-but-2-ynoyl-4-piperidyl)-N-methyl-propanamide N-benzyl-3-(1-but-2-ynoyl-4-pipe…

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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) 2.88 10.62 -17.02 0 4 0 41 326.44 5 ↓

Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-3-(4-piperidyl)propanamide N-[(1S)-2-hydroxy-1-phenyl-ethyl…

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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) 1.30 3.56 -44.52 4 4 1 66 277.388 6 ↓

Analogs

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Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-(4-piperidyl)propanamide N-[(1R)-2-hydroxy-1-phenyl-ethyl…

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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) 1.30 3.56 -44.33 4 4 1 66 277.388 6 ↓

Analogs

37800236
37800236
37800237
37800237
37800240
37800240
37800241
37800241
37809012
37809012

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

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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) 4.25 13.05 -39.76 1 3 1 25 331.524 7 ↓

Analogs

37800236
37800236
37800237
37800237
37800240
37800240
37800241
37800241
37809012
37809012

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

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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) 4.25 13.15 -39.93 1 3 1 25 331.524 7 ↓

Parameters Provided:

ring.id = 37545
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 = 37545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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