UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37853933
37853933
37854184
37854184

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methylphenoxy)butanamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 2.07 5.83 -10.47 1 4 0 50 277.364 8 ↓

Analogs

37853966
37853966
37854218
37854218

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 2.04 5.83 -10.61 1 4 0 50 277.364 8 ↓

Analogs

37853964
37853964
37854216
37854216

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Popular Name: 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide 4-(4-bromophenoxy)-N-cyclopropyl…

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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) 2.43 5.78 -9.96 1 4 0 50 342.233 8 ↓

Analogs

37860470
37860470
37860831
37860831

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-4-(2-methylphenoxy)butanamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 2.02 5.91 -10.32 1 4 0 50 277.364 8 ↓

Analogs

37860832
37860832

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Popular Name: N-cyclopropyl-4-(4-fluorophenoxy)-N-(2-hydroxyethyl)butanamide N-cyclopropyl-4-(4-fluorophenoxy…

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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) 1.78 5.23 -10.57 1 4 0 50 281.327 8 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-4-phenoxy-butanamide N-cyclopropyl-N-(2-hydroxyethyl)…

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Activity (Go SEA)

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) 1.62 5.16 -10.49 1 4 0 50 263.337 8 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-cyclopropyl-4-(2-fluorophenoxy)butanamide N-(cyanomethyl)-N-cyclopropyl-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) 2.15 8.05 -17.85 0 4 0 53 276.311 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-4-(3-fluorophenoxy)butanamide N-(cyanomethyl)-N-cyclopropyl-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) 2.18 8.04 -13.79 0 4 0 53 276.311 7 ↓

Parameters Provided:

ring.id = 25856
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 = 25856 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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