UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37005556
37005556
37005557
37005557
37028328
37028328
37028329
37028329
37028340
37028340

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Popular Name: N-[(1S)-2-[3-(hydroxymethyl)anilino]-1-methyl-2-oxo-ethyl]cyclohexanecarboxamide N-[(1S)-2-[3-(hydroxymethyl)anil…

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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) 2.15 3.42 -11.7 3 5 0 78 304.39 5 ↓

Analogs

37005556
37005556
37005557
37005557
37028328
37028328
37028329
37028329
37028340
37028340

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Popular Name: N-[(1R)-2-[3-(hydroxymethyl)anilino]-1-methyl-2-oxo-ethyl]cyclohexanecarboxamide N-[(1R)-2-[3-(hydroxymethyl)anil…

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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) 2.15 3.42 -11.68 3 5 0 78 304.39 5 ↓

Analogs

32967173
32967173
6310063
6310063
6627168
6627168
8314253
8314253

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Popular Name: 4-butyl-N-[2-[(3-fluorophenyl)amino]-2-oxo-ethyl]-N-methyl-cyclohexane-1-carboxamide 4-butyl-N-[2-[(3-fluorophenyl)am…

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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) 4.78 10.17 -15.78 1 4 0 49 348.462 7 ↓

Analogs

6673209
6673209

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Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]cyclohexanecarboxamide N-[2-[(2,6-dimethylphenyl)amino]…

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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) 2.74 6.71 -9.69 2 4 0 58 288.391 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(5-fluoro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]cyclohexanecarboxamide N-[(1R)-2-(5-fluoro-2-methyl-ani…

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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) 3.38 7.05 -10.59 2 4 0 58 306.381 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(5-fluoro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]cyclohexanecarboxamide N-[(1S)-2-(5-fluoro-2-methyl-ani…

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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) 3.38 7.05 -10.27 2 4 0 58 306.381 4 ↓

Analogs

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Popular Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]cyclohexanecarboxamide N-[2-(3-ethynylanilino)-2-oxo-et…

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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) 2.62 6.45 -11.7 2 4 0 58 284.359 4 ↓

Analogs

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Popular Name: N-[2-[[5-(dimethylsulfamoyl)-2,3-dimethyl-phenyl]amino]-2-oxo-ethyl]cyclohexanecarboxamide N-[2-[[5-(dimethylsulfamoyl)-2,3…

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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 4.68 -15.73 2 7 0 96 395.525 6 ↓

Analogs

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Popular Name: N-[2-[(4-chloro-2,5-dimethoxy-phenyl)amino]-2-oxo-ethyl]cyclohexanecarboxamide N-[2-[(4-chloro-2,5-dimethoxy-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) 3.53 4.52 -9.51 2 6 0 77 354.834 6 ↓

Analogs

26533421
26533421

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Popular Name: N-[2-[(3,5-dimethoxyphenyl)amino]-2-oxo-ethyl]cyclohexanecarboxamide N-[2-[(3,5-dimethoxyphenyl)amino…

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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) 2.92 3.87 -11.41 2 6 0 77 320.389 6 ↓

Analogs

30896735
30896735

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Popular Name: 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]-N-ethyl-benzamide 3-[[2-(cyclohexanecarbonylamino)…

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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) 2.42 4.33 -16.11 3 6 0 87 331.416 6 ↓

Parameters Provided:

ring.id = 19198
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 = 19198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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