UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclooctyl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-cyclooctyl-5-(3-hydroxyprop-1-…

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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) 2.36 4.16 -11.3 2 4 0 62 286.375 2 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-cyclooctyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-cyclooc…

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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) 1.80 4.87 -52.13 4 4 1 70 286.399 2 ↓
Mid Mid (pH 6-8) 1.80 4.46 -9.41 3 4 0 68 285.391 2 ↓

Analogs

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Popular Name: N-(1-cyanocyclooctyl)-2-methoxy-pyridine-3-carboxamide N-(1-cyanocyclooctyl)-2-methoxy-…

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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) 3.01 4.9 -19.65 1 5 0 75 287.363 3 ↓

Analogs

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Popular Name: N-cyclooctyl-6-fluoro-pyridine-3-carboxamide N-cyclooctyl-6-fluoro-pyridine-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) 3.31 5.29 -7.35 1 3 0 42 250.317 2 ↓

Analogs

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Popular Name: N-cyclooctyl-6-fluoro-N-methyl-pyridine-3-carboxamide N-cyclooctyl-6-fluoro-N-methyl-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) 3.09 6.81 -9.56 0 3 0 33 264.344 2 ↓

Analogs

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Popular Name: N5-cyclooctylpyridine-2,5-dicarboxamide N5-cyclooctylpyridine-2,5-dicarb…

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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) 1.70 2.19 -10.57 3 5 0 85 275.352 3 ↓

Analogs

40156606
40156606
40156607
40156607
40156608
40156608
6946041
6946041

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Popular Name: N-cyclooctyl-2-pentylsulfanyl-pyridine-3-carboxamide N-cyclooctyl-2-pentylsulfanyl-py…

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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) 5.64 9.75 -10.24 1 3 0 42 334.529 7 ↓

Analogs

6946041
6946041

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Popular Name: N-cyclooctyl-2-ethylsulfanyl-pyridine-3-carboxamide N-cyclooctyl-2-ethylsulfanyl-pyr…

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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) 4.07 7.4 -10.49 1 3 0 42 292.448 4 ↓

Analogs

6946041
6946041

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Popular Name: N-cyclooctyl-2-propylsulfanyl-pyridine-3-carboxamide N-cyclooctyl-2-propylsulfanyl-py…

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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) 4.58 8.18 -10.41 1 3 0 42 306.475 5 ↓

Analogs

44909165
44909165
24544971
24544971
24481393
24481393
33185815
33185815

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Popular Name: N-cyclooctyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-cyclooctyl-2-(2,2,2-trifluoroe…

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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) 4.08 6.47 -13.8 1 4 0 51 330.35 5 ↓

Analogs

55371257
55371257
21146255
21146255
21146258
21146258
6613080
6613080
12458906
12458906

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Popular Name: N-cyclooctyl-2,6-dimethoxy-pyridine-3-carboxamide N-cyclooctyl-2,6-dimethoxy-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) 3.55 3.86 -11.3 1 5 0 60 292.379 4 ↓

Parameters Provided:

ring.id = 2678
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 = 2678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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