UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-(methoxymethyl)phenyl]BLAHone [4-(methoxymethyl)phenyl]BLAHone

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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) 4.02 7.76 -9.86 1 4 0 55 344.461 3 ↓

Analogs

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Popular Name: (4-acetylphenyl)BLAHone (4-acetylphenyl)BLAHone

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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) 3.97 8.52 -12.39 1 4 0 63 342.445 2 ↓
Hi High (pH 8-9.5) 4.42 6.8 -47.63 0 4 -1 66 341.437 2 ↓

Analogs

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Popular Name: (4-nitrophenyl)BLAHone (4-nitrophenyl)BLAHone

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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) 4.03 8.34 -12.62 1 6 0 92 345.405 2 ↓
Mid Mid (pH 6-8) 4.48 6.72 -41.2 0 6 -1 95 344.397 2 ↓

Analogs

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Popular Name: (3-chloro-5-ethoxy-4-hydroxy-phenyl)BLAHone (3-chloro-5-ethoxy-4-hydroxy-phe…

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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) 4.62 6.63 -9.63 2 5 0 75 394.905 3 ↓
Hi High (pH 8-9.5) 5.08 6.98 -40.72 1 5 -1 82 393.897 3 ↓

Analogs

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Popular Name: (3,4-dimethoxyphenyl)BLAHone (3,4-dimethoxyphenyl)BLAHone

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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) 3.71 7.24 -11.86 1 5 0 64 360.46 3 ↓

Analogs

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Popular Name: 4-(oxoBLAHyl)benzenesulfonamide 4-(oxoBLAHyl)benzenesulfonamide

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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) 2.76 2.99 -15.84 3 6 0 106 379.488 2 ↓
Hi High (pH 8-9.5) 3.22 1.29 -50.49 2 6 -1 109 378.48 2 ↓

Analogs

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Popular Name: N-[4-(oxoBLAHyl)phenyl]acetamide N-[4-(oxoBLAHyl)phenyl]acetamide

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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) 3.29 6.94 -15.82 2 5 0 75 357.46 2 ↓
Hi High (pH 8-9.5) 3.74 5.21 -56.27 1 5 -1 78 356.452 2 ↓

Analogs

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Popular Name: (4-fluorophenyl)BLAHone (4-fluorophenyl)BLAHone

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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) 4.23 8.09 -8.94 1 3 0 46 318.398 1 ↓
Hi High (pH 8-9.5) 4.69 6.4 -44.02 0 3 -1 49 317.39 1 ↓

Analogs

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Popular Name: (3-fluorophenyl)BLAHone (3-fluorophenyl)BLAHone

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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) 4.21 8.09 -8.99 1 3 0 46 318.398 1 ↓
Hi High (pH 8-9.5) 4.66 6.39 -45.73 0 3 -1 49 317.39 1 ↓

Parameters Provided:

ring.id = 152081
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 = 152081 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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