UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[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) 0.08 2.65 -16.44 2 5 0 75 281.315 4 ↓
Lo Low (pH 4.5-6) 0.08 3 -44.43 3 5 1 76 282.323 4 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[2-(2-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) -0.49 3.35 -55.54 4 5 1 83 281.339 4 ↓
Mid Mid (pH 6-8) -0.49 2.95 -13.81 3 5 0 81 280.331 4 ↓
Lo Low (pH 4.5-6) -0.49 3.71 -91.84 5 5 2 84 282.347 4 ↓

Analogs

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Popular Name: 2-chloro-N-[2-(pyridin-2-yl)ethyl]pyridine-3-carboxamide 2-chloro-N-[2-(pyridin-2-yl)ethy…

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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) 1.50 4.28 -19.05 1 4 0 55 261.712 4 ↓
Lo Low (pH 4.5-6) 1.50 4.66 -46.57 2 4 1 56 262.72 4 ↓

Analogs

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Popular Name: N-propyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide N-propyl-N-[2-(2-pyridyl)ethyl]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) 1.18 7.13 -13.61 0 4 0 46 269.348 6 ↓
Lo Low (pH 4.5-6) 1.18 7.48 -38.41 1 4 1 47 270.356 6 ↓

Analogs

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Popular Name: 2-ethoxy-N-methyl-N-[(1S)-1-methyl-2-(4-methyl-2-pyridyl)ethyl]pyridine-3-carboxamide 2-ethoxy-N-methyl-N-[(1S)-1-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) 2.14 7.76 -15.09 0 5 0 55 313.401 6 ↓
Mid Mid (pH 6-8) 2.14 7.46 -40.08 1 5 1 57 314.409 6 ↓

Analogs

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Popular Name: 2-ethoxy-N-methyl-N-[(1R)-1-methyl-2-(4-methyl-2-pyridyl)ethyl]pyridine-3-carboxamide 2-ethoxy-N-methyl-N-[(1R)-1-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) 2.14 6.94 -17.62 0 5 0 55 313.401 6 ↓
Mid Mid (pH 6-8) 2.14 7.24 -36.08 1 5 1 57 314.409 6 ↓

Analogs

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Popular Name: N5-[2-(2-pyridyl)ethyl]pyridine-2,5-dicarboxamide N5-[2-(2-pyridyl)ethyl]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) -0.58 0.68 -15.19 3 6 0 98 270.292 5 ↓
Lo Low (pH 4.5-6) -0.58 1.03 -45.06 4 6 1 99 271.3 5 ↓

Analogs

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Popular Name: 6-(isopropylamino)-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide 6-(isopropylamino)-N-[2-(2-pyrid…

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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 4.97 -12.55 2 5 0 67 284.363 6 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-propylsulfanyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide N-(2-cyanoethyl)-2-propylsulfany…

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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) 1.52 9.94 -15.09 0 5 0 70 354.479 9 ↓
Lo Low (pH 4.5-6) 1.52 10.29 -44.79 1 5 1 71 355.487 9 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-ethoxy-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide N-(2-cyanoethyl)-2-ethoxy-N-[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) 0.48 6.76 -16.44 0 6 0 79 324.384 8 ↓
Lo Low (pH 4.5-6) 0.48 7.12 -45.56 1 6 1 80 325.392 8 ↓

Analogs

48693865
48693865
21773922
21773922

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Popular Name: 2-pentylsulfanyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide 2-pentylsulfanyl-N-[2-(2-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) 3.36 8.23 -15.19 1 4 0 55 329.469 9 ↓
Lo Low (pH 4.5-6) 3.36 8.58 -42.37 2 4 1 56 330.477 9 ↓

Analogs

21773922
21773922

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Popular Name: N-methyl-2-methylsulfanyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide N-methyl-2-methylsulfanyl-N-[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) 1.19 6.74 -15.7 0 4 0 46 287.388 5 ↓
Lo Low (pH 4.5-6) 1.19 7.09 -39.53 1 4 1 47 288.396 5 ↓

Analogs

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Popular Name: 2,6-dimethoxy-N-methyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide 2,6-dimethoxy-N-methyl-N-[2-(2-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) 1.05 3.72 -16.07 0 6 0 65 301.346 6 ↓
Lo Low (pH 4.5-6) 1.05 4.07 -40.3 1 6 1 66 302.354 6 ↓

Analogs

40156606
40156606
40156607
40156607
40156608
40156608
21773922
21773922
11668147
11668147

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Popular Name: N-methyl-2-pentylsulfanyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide N-methyl-2-pentylsulfanyl-N-[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) 3.13 9.99 -12.37 0 4 0 46 343.496 9 ↓
Lo Low (pH 4.5-6) 3.13 10.34 -36.43 1 4 1 47 344.504 9 ↓

Analogs

32657823
32657823

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Popular Name: N-methyl-N-[2-(2-pyridyl)ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-methyl-N-[2-(2-pyridyl)ethyl]-…

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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) 1.57 6.33 -18.85 0 5 0 55 339.317 7 ↓
Lo Low (pH 4.5-6) 1.57 6.69 -41.22 1 5 1 57 340.325 7 ↓

Analogs

21773922
21773922

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Popular Name: 2-ethylsulfanyl-N-methyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide 2-ethylsulfanyl-N-methyl-N-[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) 1.56 7.64 -12.75 0 4 0 46 301.415 6 ↓
Lo Low (pH 4.5-6) 1.56 7.99 -36.63 1 4 1 47 302.423 6 ↓

Parameters Provided:

ring.id = 2688
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 = 2688 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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