UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39515332
39515332

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Popular Name: N-[[2-(azocan-1-yl)-3-pyridyl]methyl]propane-1-sulfonamide N-[[2-(azocan-1-yl)-3-pyridyl]me…

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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) 2.82 -5.38 -38.03 2 5 1 64 326.486 6 ↓

Analogs

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Popular Name: 3-[[2-(azocan-1-yl)-3-pyridyl]methyl]-1-ethyl-urea 3-[[2-(azocan-1-yl)-3-pyridyl]me…

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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 -3.74 -36.51 3 5 1 59 291.419 4 ↓

Analogs

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Popular Name: 6-(azocan-1-yl)-2-isobutoxy-pyridin-3-amine 6-(azocan-1-yl)-2-isobutoxy-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) 4.01 7.06 -4.42 2 4 0 51 277.412 4 ↓

Analogs

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Popular Name: 6-(azocan-1-yl)-2-propoxy-pyridin-3-amine 6-(azocan-1-yl)-2-propoxy-pyridi…

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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) 3.77 6.38 -4.58 2 4 0 51 263.385 4 ↓

Analogs

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Popular Name: 6-(azocan-1-yl)-2-isopropoxy-pyridin-3-amine 6-(azocan-1-yl)-2-isopropoxy-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) 3.63 6.43 -4.35 2 4 0 51 263.385 3 ↓

Analogs

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Popular Name: 6-(azocan-1-yl)-2-ethoxy-pyridin-3-amine 6-(azocan-1-yl)-2-ethoxy-pyridin…

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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) 3.27 5.58 -4.71 2 4 0 51 249.358 3 ↓

Analogs

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Popular Name: 6-(azocan-1-yl)-2-methoxy-pyridin-3-amine 6-(azocan-1-yl)-2-methoxy-pyridi…

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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) 2.89 4.63 -4.8 2 4 0 51 235.331 2 ↓

Analogs

25371505
25371505
25371509
25371509

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Popular Name: 1-(5-nitro-2-pyridyl)azocane 1-(5-nitro-2-pyridyl)azocane

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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) 3.19 8.59 -6.68 0 5 0 62 235.287 2 ↓

Analogs

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Popular Name: 1-(6-chloro-3-nitro-2-pyridyl)azocane 1-(6-chloro-3-nitro-2-pyridyl)az…

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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) 3.99 9.81 -4.8 0 5 0 62 269.732 2 ↓

Analogs

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Popular Name: 5-amino-2-(azocan-1-yl)pyridine-3-carboxamide 5-amino-2-(azocan-1-yl)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) 1.46 3.54 -8.81 4 5 0 85 248.33 2 ↓

Parameters Provided:

ring.id = 59798
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 = 59798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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