UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(2,3-difluorophenyl)BLAHyl]-phenyl-methanone [(2,3-difluorophenyl)BLAHyl]-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) 3.23 11.3 -39.46 1 3 1 25 369.435 2 ↓
Hi High (pH 8-9.5) 3.23 10.3 -13.63 0 3 0 24 368.427 2 ↓

Analogs

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Popular Name: [4-(hydroxymethyl)phenyl]-(phenylBLAHyl)methanone [4-(hydroxymethyl)phenyl]-(pheny…

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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) 2.81 8.75 -43.98 2 4 1 45 363.481 3 ↓
Hi High (pH 8-9.5) 2.81 6.45 -9.92 1 4 0 44 362.473 3 ↓

Analogs

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Popular Name: (5-fluoro-2-methyl-phenyl)-(phenylBLAHyl)methanone (5-fluoro-2-methyl-phenyl)-(phen…

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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) 4.01 11.92 -38.07 1 3 1 25 365.472 2 ↓
Hi High (pH 8-9.5) 4.01 10.86 -6.47 0 3 0 24 364.464 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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VisitorId = ed478d6a-0915-41c3-8e68-1444b16d85b3

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 = 29244 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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