UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-N-(2-chloroallyl)-N-[(1R)-indan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-(2-chloroallyl)-N-[(1R)-i…

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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) 2.12 7.53 -11.9 0 4 0 39 321.804 4 ↓

Analogs

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Popular Name: (2S)-N-(2-chloroallyl)-N-[(1S)-indan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-(2-chloroallyl)-N-[(1S)-i…

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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) 2.12 8.09 -10.94 0 4 0 39 321.804 4 ↓

Analogs

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Popular Name: (2R)-N-(2-chloroallyl)-N-[(1R)-indan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-(2-chloroallyl)-N-[(1R)-i…

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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) 2.12 7.68 -8.78 0 4 0 39 321.804 4 ↓

Analogs

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Popular Name: (2R)-N-(2-chloroallyl)-N-[(1S)-indan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-(2-chloroallyl)-N-[(1S)-i…

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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) 2.12 8.01 -11.65 0 4 0 39 321.804 4 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-5-chloroindan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-[(1S)-5-chloroindan-1-yl]…

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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) 1.55 5.45 -11.34 1 4 0 48 281.739 2 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-5-chloroindan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-[(1R)-5-chloroindan-1-yl]…

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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) 1.55 5.36 -11.39 1 4 0 48 281.739 2 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-5-chloroindan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-[(1S)-5-chloroindan-1-yl]…

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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) 1.55 5.45 -11.55 1 4 0 48 281.739 2 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-5-chloroindan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-[(1R)-5-chloroindan-1-yl]…

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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) 1.55 5.36 -11.11 1 4 0 48 281.739 2 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-4-chloroindan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-[(1S)-4-chloroindan-1-yl]…

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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) 1.52 5.42 -10.44 1 4 0 48 281.739 2 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-4-chloroindan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-[(1R)-4-chloroindan-1-yl]…

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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) 1.52 5.34 -10.76 1 4 0 48 281.739 2 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-4-chloroindan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-[(1S)-4-chloroindan-1-yl]…

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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) 1.52 5.42 -10.7 1 4 0 48 281.739 2 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-4-chloroindan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-[(1R)-4-chloroindan-1-yl]…

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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) 1.52 5.34 -10.54 1 4 0 48 281.739 2 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-4-fluoroindan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-[(1S)-4-fluoroindan-1-yl]…

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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) 1.01 4.99 -10.85 1 4 0 48 265.284 2 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-4-fluoroindan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-[(1R)-4-fluoroindan-1-yl]…

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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) 1.01 4.91 -11.21 1 4 0 48 265.284 2 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-4-fluoroindan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-[(1S)-4-fluoroindan-1-yl]…

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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) 1.01 4.99 -11.05 1 4 0 48 265.284 2 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-4-fluoroindan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-[(1R)-4-fluoroindan-1-yl]…

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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) 1.01 4.91 -10.96 1 4 0 48 265.284 2 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-5-fluoroindan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-[(1S)-5-fluoroindan-1-yl]…

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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) 1.03 4.98 -11.83 1 4 0 48 265.284 2 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-5-fluoroindan-1-yl]-1,4-dioxane-2-carboxamide (2S)-N-[(1R)-5-fluoroindan-1-yl]…

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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) 1.03 4.91 -11.9 1 4 0 48 265.284 2 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-5-fluoroindan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-[(1S)-5-fluoroindan-1-yl]…

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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) 1.03 4.98 -12.17 1 4 0 48 265.284 2 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-5-fluoroindan-1-yl]-1,4-dioxane-2-carboxamide (2R)-N-[(1R)-5-fluoroindan-1-yl]…

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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) 1.03 4.91 -11.62 1 4 0 48 265.284 2 ↓

Parameters Provided:

ring.id = 373028
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 = 373028 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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