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) 4.64 13.56 -23.89 0 10 0 128 460.483 12 ↓

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) 4.64 13.59 -15.42 0 10 0 128 460.483 12 ↓

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) 4.64 13.85 -18.33 0 10 0 128 460.483 12 ↓

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) 4.64 13.4 -14.76 0 10 0 128 460.483 12 ↓

Analogs

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Popular Name: 2-[(2S,3S)-3-[1-methyl-1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxo-azetidin-2-yl]acetic 2-[(2S,3S)-3-[1-methyl-1-[(4-nit…

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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) 1.35 6.58 -47.79 1 10 -1 151 365.318 9 ↓

Analogs

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Popular Name: 2-[(2S,3R)-3-[1-methyl-1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxo-azetidin-2-yl]acetic 2-[(2S,3R)-3-[1-methyl-1-[(4-nit…

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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) 1.35 6.6 -45.42 1 10 -1 151 365.318 9 ↓

Analogs

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Popular Name: 2-[(2R,3S)-3-[1-methyl-1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxo-azetidin-2-yl]acetic 2-[(2R,3S)-3-[1-methyl-1-[(4-nit…

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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) 1.35 6.73 -47.86 1 10 -1 151 365.318 9 ↓

Analogs

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Popular Name: 2-[(2R,3R)-3-[1-methyl-1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxo-azetidin-2-yl]acetic 2-[(2R,3R)-3-[1-methyl-1-[(4-nit…

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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) 1.35 6.65 -47.81 1 10 -1 151 365.318 9 ↓

Analogs

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Popular Name: [1-[(2S,3S)-2-(2-hydroxyethyl)-4-oxo-azetidin-3-yl]-1-methyl-ethyl] [1-[(2S,3S)-2-(2-hydroxyethyl)-4…

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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) 1.47 3.37 -15.99 2 9 0 131 352.343 9 ↓

Analogs

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Popular Name: [1-[(2S,3R)-2-(2-hydroxyethyl)-4-oxo-azetidin-3-yl]-1-methyl-ethyl] [1-[(2S,3R)-2-(2-hydroxyethyl)-4…

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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) 1.47 3.36 -13.64 2 9 0 131 352.343 9 ↓

Analogs

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Popular Name: [1-[(2R,3S)-2-(2-hydroxyethyl)-4-oxo-azetidin-3-yl]-1-methyl-ethyl] [1-[(2R,3S)-2-(2-hydroxyethyl)-4…

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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) 1.47 3.5 -15.89 2 9 0 131 352.343 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2R,3R)-2-(2-hydroxyethyl)-4-oxo-azetidin-3-yl]-1-methyl-ethyl] [1-[(2R,3R)-2-(2-hydroxyethyl)-4…

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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) 1.47 3.42 -15.93 2 9 0 131 352.343 9 ↓

Parameters Provided:

ring.id = 195010
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 = 195010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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