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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl 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) 1.57 5.54 -12.89 1 6 0 77 306.343 7 ↓
Mid Mid (pH 6-8) 1.57 6.02 -36.14 2 6 1 79 307.351 7 ↓

Analogs

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Popular Name: 2-(2,2,2-trifluoroethoxy)ethyl 2-(2,2,2-trifluoroethoxy)ethyl

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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) 2.56 8.46 -14.01 0 6 0 67 364.345 10 ↓
Mid Mid (pH 6-8) 2.56 8.94 -39.25 1 6 1 68 365.353 10 ↓

Analogs

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Popular Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[2-[(S)-methylsulfinyl]ethyl]furan-2-carboxamide 5-[(1-methylimidazol-2-yl)sulfan…

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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) 0.19 3.83 -20.88 1 6 0 77 327.431 7 ↓
Mid Mid (pH 6-8) 0.19 4.32 -48.77 2 6 1 78 328.439 7 ↓

Analogs

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Popular Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[2-[(R)-methylsulfinyl]ethyl]furan-2-carboxamide 5-[(1-methylimidazol-2-yl)sulfan…

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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) 0.19 3.83 -20.66 1 6 0 77 327.431 7 ↓
Mid Mid (pH 6-8) 0.19 4.32 -48.67 2 6 1 78 328.439 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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 7.02 -11.33 1 7 0 86 337.401 8 ↓
Mid Mid (pH 6-8) 1.80 7.51 -36.55 2 7 1 88 338.409 8 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide N-(2-bromoallyl)-5-[(1-methylimi…

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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 6.44 -10.26 1 5 0 60 356.245 6 ↓
Mid Mid (pH 6-8) 2.31 6.92 -36.53 2 5 1 61 357.253 6 ↓

Analogs

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Popular Name: N,N-dimethyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-sulfonamide N,N-dimethyl-5-[(1-methylimidazo…

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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) 1.37 4.14 -13.73 0 6 0 68 301.393 5 ↓
Mid Mid (pH 6-8) 1.37 4.63 -38.9 1 6 1 70 302.401 5 ↓

Analogs

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Popular Name: 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-N,N-dimethyl-furan-2-sulfonamide 5-[(1-ethylimidazol-2-yl)sulfany…

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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) 1.74 5.04 -13.38 0 6 0 68 315.42 6 ↓
Mid Mid (pH 6-8) 1.74 5.51 -38.5 1 6 1 70 316.428 6 ↓

Parameters Provided:

ring.id = 18016
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 = 18016 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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