UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: acetyl(benzyl)BLAHone acetyl(benzyl)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) 1.78 9.58 -19.88 0 5 0 55 339.42 2 ↓

Analogs

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Popular Name: benzyl-N,N-dimethyl-oxo-BLAHcarboxamide benzyl-N,N-dimethyl-oxo-BLAHcarb…

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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) 1.92 9.58 -21.43 0 6 0 58 368.462 2 ↓

Analogs

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Popular Name: benzyl-(2-methoxyacetyl)BLAHone benzyl-(2-methoxyacetyl)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) 1.72 9.75 -22.37 0 6 0 64 369.446 4 ↓

Analogs

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Popular Name: acetyl-[(4-fluorophenyl)methyl]BLAHone acetyl-[(4-fluorophenyl)methyl]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) 1.94 9.65 -21.25 0 5 0 55 357.41 2 ↓

Analogs

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Popular Name: (3-chloro-2,2-dimethyl-propanoyl)-[(4-fluorophenyl)methyl]BLAHone (3-chloro-2,2-dimethyl-propanoyl…

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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) 3.67 11.55 -18.08 0 5 0 55 433.936 4 ↓

Analogs

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Popular Name: (4-fluorophenyl)methyl-(2-methoxyacetyl)BLAHone (4-fluorophenyl)methyl-(2-methox…

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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) 1.89 9.82 -23.8 0 6 0 64 387.436 4 ↓

Analogs

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Popular Name: benzyl-ethyl-methylsulfanyl-BLAHone benzyl-ethyl-methylsulfanyl-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 9.16 -10.09 0 4 0 38 371.531 4 ↓

Analogs

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Popular Name: 4-[(oxoBLAHyl)methyl]benzenesulfonamide 4-[(oxoBLAHyl)methyl]benzenesulf…

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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) 0.87 2.07 -23.08 3 7 0 107 376.463 3 ↓
Lo Low (pH 4.5-6) 0.87 3.46 -58.35 4 7 1 112 377.471 3 ↓

Parameters Provided:

ring.id = 17532
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 = 17532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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