UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36878892
36878892
31818255
31818255

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Popular Name: tert-Butyl 4-(picolinamido)piperidine-1-carboxylate tert-Butyl 4-(picolinamido)piper…

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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) 1.42 5.3 -10.85 1 6 0 72 305.378 4 ↓

Analogs

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Popular Name: 6-[(1-methyl-4-piperidyl)carbamoyl]pyridine-2-carboxylic 6-[(1-methyl-4-piperidyl)carbamo…

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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) 0.02 4.99 -65.31 2 6 0 87 263.297 3 ↓

Analogs

42690521
42690521

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Popular Name: 6-[methyl-(1-methyl-4-piperidyl)carbamoyl]pyridine-2-carboxylic 6-[methyl-(1-methyl-4-piperidyl)…

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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) 0.27 7.34 -66.02 1 6 0 78 277.324 3 ↓

Analogs

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Popular Name: 3-chloro-6-ethoxy-N-(1-methyl-4-piperidyl)pyridine-2-carboxamide 3-chloro-6-ethoxy-N-(1-methyl-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) 2.17 4.46 -39.59 2 5 1 56 298.794 4 ↓

Analogs

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Popular Name: 3-hydroxy-N-(1-methylsulfonyl-4-piperidyl)pyridine-2-carboxamide 3-hydroxy-N-(1-methylsulfonyl-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) -0.13 1.04 -44.56 2 7 0 104 299.352 3 ↓
Hi High (pH 8-9.5) -0.13 0.58 -57.1 1 7 -1 102 298.344 3 ↓
Mid Mid (pH 6-8) -0.13 -0.42 -16.58 2 7 0 100 299.352 3 ↓

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) 0.23 3.28 -11.78 1 6 0 72 263.297 3 ↓

Analogs

37979656
37979656
37979762
37979762
37981530
37981530
37981947
37981947
37982045
37982045

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Popular Name: 4-chloro-N-(1-methyl-4-piperidyl)pyridine-2-carboxamide 4-chloro-N-(1-methyl-4-piperidyl…

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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) 1.40 4.93 -39.93 2 4 1 46 254.741 2 ↓

Analogs

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Popular Name: 3-hydroxy-N-(1-propyl-4-piperidyl)pyridine-2-carboxamide 3-hydroxy-N-(1-propyl-4-piperidy…

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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) 1.38 4.36 -40.34 3 5 1 67 264.349 4 ↓
Mid Mid (pH 6-8) 1.38 5.84 -72.4 3 5 1 71 264.349 4 ↓
Mid Mid (pH 6-8) 1.38 5.37 -65.72 2 5 0 69 263.341 4 ↓

Analogs

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Popular Name: 6-[(1-propyl-4-piperidyl)carbamoyl]pyridine-2-carboxylic 6-[(1-propyl-4-piperidyl)carbamo…

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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) 0.90 6.4 -64.13 2 6 0 87 291.351 5 ↓

Analogs

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Popular Name: 6-(4-piperidylcarbamoyl)pyridine-3-carboxylic 6-(4-piperidylcarbamoyl)pyridine…

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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) -0.64 2.76 -72.33 3 6 0 99 249.27 3 ↓

Analogs

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Popular Name: 6-(4-piperidylcarbamoyl)pyridine-2-carboxylic 6-(4-piperidylcarbamoyl)pyridine…

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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) -0.57 2.77 -70.36 3 6 0 99 249.27 3 ↓

Parameters Provided:

ring.id = 14131
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 = 14131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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