UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12536707
12536707
44836411
44836411
44836415
44836415

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Popular Name: N-[(1R)-1-(3-pyridyl)ethyl]cyclohexanecarboxamide N-[(1R)-1-(3-pyridyl)ethyl]cyclo…

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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) 2.43 5.9 -7.55 1 3 0 42 232.327 3 ↓
Lo Low (pH 4.5-6) 2.43 6.19 -41.1 2 3 1 43 233.335 3 ↓

Analogs

44836411
44836411
44836415
44836415
12536706
12536706

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Popular Name: N-[(1S)-1-(3-pyridyl)ethyl]cyclohexanecarboxamide N-[(1S)-1-(3-pyridyl)ethyl]cyclo…

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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) 2.43 5.9 -7.51 1 3 0 42 232.327 3 ↓
Lo Low (pH 4.5-6) 2.43 6.19 -41.07 2 3 1 43 233.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[[6-(dimethylamino)-3-pyridyl]methyl]-2-(trifluoromethyl)cyclohexanecarboxamide (1R,2S)-N-[[6-(dimethylamino)-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) 3.10 7.64 -31.65 2 4 1 46 330.374 5 ↓
Mid Mid (pH 6-8) 3.10 7.3 -8.61 1 4 0 45 329.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[[6-(dimethylamino)-3-pyridyl]methyl]-2-(trifluoromethyl)cyclohexanecarboxamide (1S,2S)-N-[[6-(dimethylamino)-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) 3.10 7.63 -33.54 2 4 1 46 330.374 5 ↓
Mid Mid (pH 6-8) 3.10 7.29 -8.49 1 4 0 45 329.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[[6-(dimethylamino)-3-pyridyl]methyl]-2-(trifluoromethyl)cyclohexanecarboxamide (1R,2R)-N-[[6-(dimethylamino)-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) 3.10 7.68 -32.32 2 4 1 46 330.374 5 ↓
Mid Mid (pH 6-8) 3.10 7.35 -8.98 1 4 0 45 329.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[[6-(dimethylamino)-3-pyridyl]methyl]-2-(trifluoromethyl)cyclohexanecarboxamide (1S,2R)-N-[[6-(dimethylamino)-3-…

Find On: PubMed — Wikipedia — Google

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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 7.62 -32.88 2 4 1 46 330.374 5 ↓
Mid Mid (pH 6-8) 3.10 7.28 -8.13 1 4 0 45 329.366 5 ↓

Analogs

36771573
36771573
21520784
21520784

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Popular Name: 1-amino-N-isopropyl-N-(3-pyridylmethyl)cyclohexanecarboxamide 1-amino-N-isopropyl-N-(3-pyridyl…

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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) 1.89 5.61 -44.57 3 4 1 61 276.404 4 ↓
Mid Mid (pH 6-8) 1.89 5.35 -6.9 2 4 0 59 275.396 4 ↓
Lo Low (pH 4.5-6) 1.89 6.06 -115.71 4 4 2 62 277.412 4 ↓

Analogs

58307921
58307921

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Popular Name: 4-amino-N-isopropyl-N-(3-pyridylmethyl)cyclohexanecarboxamide 4-amino-N-isopropyl-N-(3-pyridyl…

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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) 0.68 5.49 -52.67 3 4 1 61 276.404 4 ↓
Lo Low (pH 4.5-6) 0.68 5.96 -107.61 4 4 2 62 277.412 4 ↓

Parameters Provided:

ring.id = 27962
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 = 27962 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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