UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]-1-[3-(trifluoromethyl)phenyl]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) 3.14 9.72 -46.65 2 3 1 34 341.397 5 ↓

Analogs

34866085
34866085
34866086
34866086
32205201
32205201

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

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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) 3.10 9.95 -41.78 2 3 1 34 319.444 5 ↓

Analogs

34698557
34698557
34698558
34698558
34698559
34698559

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-1-(2-methoxyphenyl)cyclopropanecarboxamide N-[(1-isopropyl-4-piperidyl)meth…

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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) 2.95 9.89 -42.64 2 4 1 43 331.48 6 ↓

Analogs

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

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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) 2.41 8.6 -43.85 2 4 1 43 335.443 7 ↓

Analogs

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-1-(2-methoxyphenyl)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) 2.26 8.53 -44.28 2 5 1 52 347.479 8 ↓

Analogs

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Popular Name: N-tert-butyl-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]piperidine-1-carboxamide N-tert-butyl-4-[[[1-(4-fluorophe…

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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) 3.82 8.73 -15.32 2 5 0 61 375.488 5 ↓

Analogs

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Popular Name: N-tert-butyl-4-[[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]piperidine-1-carboxamide N-tert-butyl-4-[[[1-(2-methoxyph…

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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) 3.66 8.39 -16.11 2 6 0 71 387.524 6 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-N-[(1-methylsulfonyl-4-piperidyl)methyl]cyclopropanecarboxamide 1-(4-fluorophenyl)-N-[(1-methyls…

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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) 1.80 5.38 -19.7 1 5 0 66 354.447 5 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-N-[(1-methylsulfonyl-4-piperidyl)methyl]cyclopropanecarboxamide 1-(2-methoxyphenyl)-N-[(1-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) 1.65 4.8 -18.86 1 6 0 76 366.483 6 ↓

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) 2.28 7.61 -15.18 1 5 0 59 334.391 5 ↓

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) 2.12 7.01 -14.57 1 6 0 68 346.427 6 ↓

Analogs

34866085
34866085
34866086
34866086

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

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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) 2.68 7.93 -12.81 1 4 0 49 372.362 5 ↓

Analogs

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

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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) 2.52 7.48 -13.43 1 5 0 59 384.398 6 ↓

Parameters Provided:

ring.id = 115183
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 = 115183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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