UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]cyclopropanecarboxamide N-[(1-methyl-4-piperidyl)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) 1.09 5.41 -43.48 2 3 1 34 197.302 3 ↓

Analogs

32109077
32109077

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]cyclopropanecarboxamide N-[[1-(2-methoxyethyl)-4-piperid…

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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) 1.08 5.28 -43.6 2 4 1 43 241.355 6 ↓
Hi High (pH 8-9.5) 1.08 2.94 -9.79 1 4 0 42 240.347 6 ↓

Analogs

41680624
41680624
41680625
41680625
41680626
41680626
41680627
41680627
41680628
41680628

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Popular Name: 1-cyano-N-[(1-isopropyl-4-piperidyl)methyl]cyclopropanecarboxamide 1-cyano-N-[(1-isopropyl-4-piperi…

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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) 1.13 6.75 -36.95 2 4 1 57 250.366 4 ↓

Analogs

44826202
44826202
44826203
44826203
44826204
44826204
44826205
44826205
44826206
44826206

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Popular Name: 1-cyano-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]cyclopropanecarboxamide 1-cyano-N-[[1-(2-methoxyethyl)-4…

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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) 0.44 5.4 -38.7 2 5 1 67 266.365 6 ↓

Analogs

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Popular Name: N-tert-butyl-4-[[(1-cyanocyclopropanecarbonyl)amino]methyl]piperidine-1-carboxamide N-tert-butyl-4-[[(1-cyanocyclopr…

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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) 1.84 5.53 -13.87 2 6 0 85 306.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyano-N-[(1-methylsulfonyl-4-piperidyl)methyl]cyclopropanecarboxamide 1-cyano-N-[(1-methylsulfonyl-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) -0.17 2.2 -16.31 1 6 0 90 285.369 4 ↓

Analogs

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Popular Name: methyl 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) 0.31 4.42 -12.8 1 6 0 82 265.313 4 ↓

Analogs

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Popular Name: 1-cyano-N-[[1-(2,2,2-trifluoroacetyl)-4-piperidyl]methyl]cyclopropanecarboxamide 1-cyano-N-[[1-(2,2,2-trifluoroac…

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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) 0.70 4.88 -10.94 1 5 0 73 303.284 4 ↓

Parameters Provided:

ring.id = 131987
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 = 131987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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