UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridine-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-cyclopr…

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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) -0.44 5.66 -54.38 3 5 1 70 274.344 5 ↓
Mid Mid (pH 6-8) -0.44 5.25 -8.46 2 5 0 68 273.336 5 ↓

Analogs

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Popular Name: 5-cyano-N-cyclopropyl-N-(2-hydroxyethyl)-6-methyl-pyridine-2-carboxamide 5-cyano-N-cyclopropyl-N-(2-hydro…

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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) 0.09 3.7 -8.66 1 5 0 77 245.282 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -0.06 3.09 -9.48 1 4 0 53 206.245 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-6-methyl-pyridine-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -0.01 3.49 -9.16 1 4 0 53 220.272 4 ↓

Analogs

37860577
37860577

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Popular Name: 3,4,5-trichloro-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide 3,4,5-trichloro-N-cyclopropyl-N-…

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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) 2.38 4.51 -7.46 1 4 0 53 309.58 4 ↓

Analogs

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Popular Name: 6-(cyclopropylcarbamoyl)pyridine-2-carboxylic 6-(cyclopropylcarbamoyl)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) -0.03 3.32 -46.51 1 5 -1 82 205.193 3 ↓

Analogs

42200722
42200722
42797079
42797079
44818709
44818709
44818711
44818711
44851297
44851297

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Popular Name: 6-[cyclopropyl(ethyl)carbamoyl]pyridine-2-carboxylic 6-[cyclopropyl(ethyl)carbamoyl]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) 0.59 6.99 -44.35 0 5 -1 73 233.247 4 ↓

Analogs

42200722
42200722
42797079
42797079
44818709
44818709
44818711
44818711
44851297
44851297

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Popular Name: 6-[cyclopropyl(methyl)carbamoyl]pyridine-2-carboxylic 6-[cyclopropyl(methyl)carbamoyl]…

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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) 0.21 5.61 -45.69 0 5 -1 73 219.22 3 ↓

Analogs

42200722
42200722
42797079
42797079
44818709
44818709
44818711
44818711
44851297
44851297

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Popular Name: 6-[cyclopropyl(propyl)carbamoyl]pyridine-2-carboxylic 6-[cyclopropyl(propyl)carbamoyl]…

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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) 1.09 7.5 -42.81 0 5 -1 73 247.274 5 ↓

Analogs

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Popular Name: N-cyclopropyl-4,6-bis(trifluoromethyl)-2-pyridinecarboxamide N-cyclopropyl-4,6-bis(trifluorom…

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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) 2.91 4.91 -5.33 1 3 0 42 298.186 4 ↓

Analogs

37978749
37978749
37979733
37979733
37981527
37981527
37983631
37983631
37985434
37985434

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Popular Name: 4-chloro-N-cyclopropyl-N-methyl-pyridine-2-carboxamide 4-chloro-N-cyclopropyl-N-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) 1.59 5.58 -7.64 0 3 0 33 210.664 2 ↓

Analogs

37978749
37978749
37983631
37983631
37985434
37985434
37989393
37989393
12921776
12921776

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Popular Name: 4-chloro-N-cyclopropyl-N-propyl-pyridine-2-carboxamide 4-chloro-N-cyclopropyl-N-propyl-…

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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) 2.47 7.76 -6.93 0 3 0 33 238.718 4 ↓

Analogs

37978750
37978750
37985428
37985428
37987725
37987725
41927454
41927454
42550682
42550682

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Popular Name: 3,6-dichloro-N-cyclopropyl-N-propyl-pyridine-2-carboxamide 3,6-dichloro-N-cyclopropyl-N-pro…

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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) 3.49 8.03 -5.93 0 3 0 33 273.163 4 ↓

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) 2.13 8.42 -8.14 0 5 0 60 290.363 7 ↓

Analogs

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Popular Name: 3-chloro-N-(cyanomethyl)-N-cyclopropyl-6-ethoxy-pyridine-2-carboxamide 3-chloro-N-(cyanomethyl)-N-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) 2.15 5.93 -10.44 0 5 0 66 279.727 5 ↓

Analogs

36756624
36756624
36756625
36756625
36756782
36756782
36756914
36756914
36756918
36756918

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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) 0.26 6.4 -11.62 0 6 0 83 259.265 5 ↓

Parameters Provided:

ring.id = 8935
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 = 8935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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