UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(3,6-dichloro-2-pyridyl)methanone 8-azaspiro[4.5]decan-8-yl-(3,6-d…

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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) 4.13 8.54 -6.19 0 3 0 33 313.228 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-chloro-2-pyridyl)methanone 8-azaspiro[4.5]decan-8-yl-(4-chl…

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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) 3.11 8.11 -7.24 0 3 0 33 278.783 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(6-chloro-2-pyridyl)methanone 8-azaspiro[4.5]decan-8-yl-(6-chl…

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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) 3.11 8.01 -6.32 0 3 0 33 278.783 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridyl)methanone 8-azaspiro[4.5]decan-8-yl-(5-bro…

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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) 3.07 8.21 -5.14 0 3 0 33 323.234 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(3-hydroxy-2-pyridyl)methanone 8-azaspiro[4.5]decan-8-yl-(3-hyd…

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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) 2.21 7.16 -52.45 0 4 -1 56 259.329 1 ↓
Mid Mid (pH 6-8) 2.21 6.15 -9.73 1 4 0 53 260.337 1 ↓
Mid Mid (pH 6-8) 2.21 5.18 -28.18 1 4 0 58 260.337 1 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decane-8-carbonyl)pyridine-3-carboxylic 6-(8-azaspiro[4.5]decane-8-carbo…

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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) 1.67 8.19 -40.98 0 5 -1 73 287.339 2 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxylic 6-(8-azaspiro[4.5]decane-8-carbo…

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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) 1.73 8.16 -45.9 0 5 -1 73 287.339 2 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[4-(methylamino)-2-pyridyl]methanone 8-azaspiro[4.5]decan-8-yl-[4-(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) 2.29 6.43 -7.95 1 4 0 45 273.38 2 ↓
Mid Mid (pH 6-8) 2.29 6.44 -34.48 2 4 1 46 274.388 2 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[4-(ethylamino)-2-pyridyl]methanone 8-azaspiro[4.5]decan-8-yl-[4-(et…

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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) 2.66 7.26 -7.53 1 4 0 45 287.407 3 ↓
Mid Mid (pH 6-8) 2.66 7.27 -34.51 2 4 1 46 288.415 3 ↓

Analogs

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Popular Name: (6-amino-2-pyridyl)-(8-azaspiro[4.5]decan-8-yl)methanone (6-amino-2-pyridyl)-(8-azaspiro[…

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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) 1.92 6.37 -8.01 2 4 0 59 259.353 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[6-(methylamino)-2-pyridyl]methanone 8-azaspiro[4.5]decan-8-yl-[6-(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) 2.29 7.25 -7.7 1 4 0 45 273.38 2 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[6-(ethylamino)-2-pyridyl]methanone 8-azaspiro[4.5]decan-8-yl-[6-(et…

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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) 2.67 8.05 -7.18 1 4 0 45 287.407 3 ↓

Analogs

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Popular Name: (6-amino-3-chloro-2-pyridyl)-(8-azaspiro[4.5]decan-8-yl)methanone (6-amino-3-chloro-2-pyridyl)-(8-…

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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) 2.93 6.88 -8.8 2 4 0 59 293.798 1 ↓

Analogs

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Popular Name: (4-amino-2-pyridyl)-(8-azaspiro[4.5]decan-8-yl)methanone (4-amino-2-pyridyl)-(8-azaspiro[…

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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 5.51 -8.23 2 4 0 59 259.353 1 ↓
Mid Mid (pH 6-8) 1.50 5.53 -35.6 3 4 1 60 260.361 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-[3-chloro-6-(methylamino)-2-pyridyl]methanone 8-azaspiro[4.5]decan-8-yl-[3-chl…

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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 7.79 -8.24 1 4 0 45 307.825 2 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-hydrazino-2-pyridyl)methanone 8-azaspiro[4.5]decan-8-yl-(4-hyd…

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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) 1.67 5.28 -8 3 5 0 71 274.368 2 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(6-hydrazino-2-pyridyl)methanone 8-azaspiro[4.5]decan-8-yl-(6-hyd…

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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) 1.68 6.22 -8.64 3 5 0 71 274.368 2 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazino-2-pyridyl)methanone 8-azaspiro[4.5]decan-8-yl-(3-chl…

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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) 2.69 6.78 -9.4 3 5 0 71 308.813 2 ↓

Parameters Provided:

ring.id = 318868
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 318868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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