UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: azepan-1-yl-(3-methyl-2-furyl)methanone azepan-1-yl-(3-methyl-2-furyl)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) 2.42 6.55 -7.71 0 3 0 33 207.273 1 ↓

Analogs

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Popular Name: azepan-1-yl-(5-chloro-2-furyl)methanone azepan-1-yl-(5-chloro-2-furyl)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) 2.85 6.49 -5.06 0 3 0 33 227.691 1 ↓

Analogs

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Popular Name: (5-bromo-2-furyl)-[(4R)-4-propylazepan-1-yl]methanone (5-bromo-2-furyl)-[(4R)-4-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) 4.23 8.58 -4.99 0 3 0 33 314.223 3 ↓

Analogs

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Popular Name: 2-furyl-[(4S)-4-propylazepan-1-yl]methanone 2-furyl-[(4S)-4-propylazepan-1-y…

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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) 3.30 7.85 -7.9 0 3 0 33 235.327 3 ↓

Analogs

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Popular Name: (5-bromo-2-furyl)-[(4S)-4-methylazepan-1-yl]methanone (5-bromo-2-furyl)-[(4S)-4-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) 2.98 7.17 -5.06 0 3 0 33 286.169 1 ↓

Analogs

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Popular Name: 2-furyl-[(4R)-4-methylazepan-1-yl]methanone 2-furyl-[(4R)-4-methylazepan-1-y…

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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) 2.05 6.46 -8.06 0 3 0 33 207.273 1 ↓

Analogs

11628076
11628076

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Popular Name: azepan-1-yl-[5-(diethylaminomethyl)-2-furyl]methanone azepan-1-yl-[5-(diethylaminometh…

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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) 2.84 9.46 -43.47 1 4 1 38 279.404 5 ↓

Parameters Provided:

ring.id = 85196
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 = 85196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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