UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2,3-difluorophenyl)BLAHyl]propane-1,3-diol 2-[(2,3-difluorophenyl)BLAHyl]pr…

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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) 1.39 3.62 -41.11 3 4 1 48 339.406 4 ↓
Hi High (pH 8-9.5) 1.39 1.89 -9.44 2 4 0 47 338.398 4 ↓
Lo Low (pH 4.5-6) 1.39 5.92 -106.77 4 4 2 49 340.414 4 ↓

Analogs

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Popular Name: [3-[(2,3-difluorophenyl)BLAHyl]-3-oxo-propyl]urea [3-[(2,3-difluorophenyl)BLAHyl]-…

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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) 1.32 5.15 -54.46 4 6 1 80 379.431 4 ↓

Analogs

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Popular Name: N-[4-oxo-4-(phenylBLAHyl)butyl]acetamide N-[4-oxo-4-(phenylBLAHyl)butyl]a…

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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 8.48 -43.51 2 5 1 54 356.49 5 ↓

Analogs

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Popular Name: 2-isopropoxy-1-(phenylBLAHyl)ethanone 2-isopropoxy-1-(phenylBLAHyl)eth…

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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) 2.96 10.52 -44.02 1 4 1 34 329.464 4 ↓
Hi High (pH 8-9.5) 2.96 8.21 -9.65 0 4 0 33 328.456 4 ↓

Parameters Provided:

ring.id = 33356
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 = 33356 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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