UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

58409132
58409132
20031163
20031163
15512220
15512220
27465224
27465224
20031167
20031167

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Popular Name: 3,6-dihydro-2H-pyridin-1-yl-(2-phenoxy-3-pyridyl)methanone 3,6-dihydro-2H-pyridin-1-yl-(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) 2.36 7.4 -15.61 0 4 0 42 280.327 3 ↓

Analogs

58064349
58064349
58409132
58409132
13860728
13860728

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Popular Name: 3,6-dihydro-2H-pyridin-1-yl-[2-[3-(trifluoromethyl)phenoxy]-3-pyridyl]methanone 3,6-dihydro-2H-pyridin-1-yl-[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) 3.23 8.42 -14.43 0 4 0 42 348.324 4 ↓

Analogs

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Popular Name: N-[3-[[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridyl]oxy]phenyl]propane-2-sulfonamide N-[3-[[3-(3,6-dihydro-2H-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) 2.31 5.35 -18.74 1 7 0 89 401.488 6 ↓
Mid Mid (pH 6-8) 2.31 5.85 -58.58 0 7 -1 91 400.48 6 ↓

Analogs

127908
127908
8429059
8429059

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Popular Name: [2-(4-chlorophenoxy)-3-pyridyl]-(3,6-dihydro-2H-pyridin-1-yl)methanone [2-(4-chlorophenoxy)-3-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) 3.04 7.91 -13.47 0 4 0 42 314.772 3 ↓

Analogs

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Popular Name: 1-[3-[[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridyl]oxy]phenyl]-3-isopropyl-urea 1-[3-[[3-(3,6-dihydro-2H-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) 2.52 6.12 -26.66 2 7 0 84 380.448 5 ↓

Parameters Provided:

ring.id = 602716
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 = 602716 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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