UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-[[2-(2-methoxyethyl-oxo-BLAHyl)sulfanylacetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(2-methoxyethyl-oxo-B…

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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) 1.06 10.26 -57.27 1 8 -1 113 486.595 10 ↓

Analogs

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Popular Name: (2R)-2-[[2-(2-methoxyethyl-oxo-BLAHyl)sulfanylacetyl]amino]-3-phenyl-propanoic (2R)-2-[[2-(2-methoxyethyl-oxo-B…

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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) 1.06 10.69 -58.35 1 8 -1 113 486.595 10 ↓

Analogs

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Popular Name: (2S)-2-[[2-(butyl-oxo-BLAHyl)sulfanylacetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(butyl-oxo-BLAHyl)sul…

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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) 2.51 12.56 -56.16 1 7 -1 104 484.623 10 ↓

Analogs

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Popular Name: (2R)-2-[[2-(butyl-oxo-BLAHyl)sulfanylacetyl]amino]-3-phenyl-propanoic (2R)-2-[[2-(butyl-oxo-BLAHyl)sul…

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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) 2.51 12.56 -56.17 1 7 -1 104 484.623 10 ↓

Analogs

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Popular Name: (2S)-2-[[2-(oxo-propyl-BLAHyl)sulfanylacetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(oxo-propyl-BLAHyl)su…

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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) 1.95 11.78 -56.25 1 7 -1 104 470.596 9 ↓

Analogs

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Popular Name: (2R)-2-[[2-(oxo-propyl-BLAHyl)sulfanylacetyl]amino]-3-phenyl-propanoic (2R)-2-[[2-(oxo-propyl-BLAHyl)su…

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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) 1.95 11.78 -56.26 1 7 -1 104 470.596 9 ↓

Analogs

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Popular Name: (2S)-2-[[2-(methyl-oxo-BLAHyl)sulfanylacetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(methyl-oxo-BLAHyl)su…

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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) 1.07 10.09 -56.74 1 7 -1 104 442.542 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(methyl-oxo-BLAHyl)sulfanylacetyl]amino]-3-phenyl-propanoic (2R)-2-[[2-(methyl-oxo-BLAHyl)su…

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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) 1.07 10.09 -56.74 1 7 -1 104 442.542 7 ↓

Analogs

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Popular Name: 2-[[ethyl(keto)BLAHyl]thio]-N-homoveratryl-acetamide 2-[[ethyl(keto)BLAHyl]thio]-N-ho…

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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) 3.32 -2.13 -19.82 1 7 0 82 473.62 9 ↓

Parameters Provided:

ring.id = 134386
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 = 134386 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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