UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37986872
37986872

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Popular Name: 4-chloro-N-(3-pyridylmethyl)pyridine-2-carboxamide 4-chloro-N-(3-pyridylmethyl)pyri…

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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) 1.14 3.62 -8.31 1 4 0 55 247.685 3 ↓
Lo Low (pH 4.5-6) 1.14 3.9 -38.84 2 4 1 56 248.693 3 ↓

Analogs

44838168
44838168

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Popular Name: 6-(3-pyridylmethylcarbamoyl)pyridine-2-carboxylic 6-(3-pyridylmethylcarbamoyl)pyri…

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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 3.68 -48.66 1 6 -1 95 256.241 4 ↓
Lo Low (pH 4.5-6) -0.23 4.15 -59.27 2 6 0 96 257.249 4 ↓

Analogs

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Popular Name: 6-[[(1S)-1-(3-pyridyl)ethyl]carbamoyl]pyridine-2-carboxylic 6-[[(1S)-1-(3-pyridyl)ethyl]carb…

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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) 0.33 4.51 -50.97 1 6 -1 95 270.268 4 ↓
Lo Low (pH 4.5-6) 0.33 4.99 -61.84 2 6 0 96 271.276 4 ↓

Analogs

36760638
36760638
36760639
36760639
36760640
36760640
44838168
44838168
48325284
48325284

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Popular Name: 6-[[(1R)-1-(3-pyridyl)ethyl]carbamoyl]pyridine-2-carboxylic 6-[[(1R)-1-(3-pyridyl)ethyl]carb…

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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) 0.33 4.51 -50.97 1 6 -1 95 270.268 4 ↓
Lo Low (pH 4.5-6) 0.33 5 -61.8 2 6 0 96 271.276 4 ↓

Analogs

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Popular Name: N-(3-pyridinylmethyl)-4,6-bis(trifluoromethyl)-2-pyridinecarboxamide N-(3-pyridinylmethyl)-4,6-bis(tr…

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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) 2.71 5.2 -6.81 1 4 0 55 349.234 5 ↓
Lo Low (pH 4.5-6) 2.71 5.65 -39.83 2 4 1 56 350.242 5 ↓

Analogs

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Popular Name: 3-hydroxy-N-[(6-methoxy-3-pyridyl)methyl]pyridine-2-carboxamide 3-hydroxy-N-[(6-methoxy-3-pyridy…

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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 1.62 -38.99 2 6 0 88 259.265 4 ↓
Hi High (pH 8-9.5) 0.64 1.16 -49.87 1 6 -1 87 258.257 4 ↓
Mid Mid (pH 6-8) 0.64 0.16 -11.21 2 6 0 84 259.265 4 ↓

Analogs

39956838
39956838

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Popular Name: 6-chloro-N-[(1R)-1-methylpropyl]-N-(3-pyridylmethyl)pyridine-2-carboxamide 6-chloro-N-[(1R)-1-methylpropyl]…

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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) 2.60 9.04 -8.98 0 4 0 46 303.793 5 ↓
Lo Low (pH 4.5-6) 2.60 9.5 -33.26 1 4 1 47 304.801 5 ↓

Analogs

39956838
39956838

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Popular Name: 6-chloro-N-[(1S)-1-methylpropyl]-N-(3-pyridylmethyl)pyridine-2-carboxamide 6-chloro-N-[(1S)-1-methylpropyl]…

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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) 2.60 8.77 -8.82 0 4 0 46 303.793 5 ↓
Lo Low (pH 4.5-6) 2.60 9.24 -33.57 1 4 1 47 304.801 5 ↓

Analogs

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Popular Name: 4-chloro-N-[[2-(dimethylamino)-3-pyridyl]methyl]pyridine-2-carboxamide 4-chloro-N-[[2-(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) 1.53 5.77 -35.26 2 5 1 59 291.762 4 ↓
Mid Mid (pH 6-8) 1.53 5.29 -9.09 1 5 0 58 290.754 4 ↓

Analogs

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Popular Name: 4-chloro-N-(2-cyanoethyl)-N-(3-pyridylmethyl)pyridine-2-carboxamide 4-chloro-N-(2-cyanoethyl)-N-(3-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) 0.84 8.14 -11.3 0 5 0 70 300.749 5 ↓

Parameters Provided:

ring.id = 106179
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 = 106179 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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