UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-acetamido-2-fluoro-N-(2-methoxydibenzofuran-3-yl)benzamide 5-acetamido-2-fluoro-N-(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) 3.73 7.61 -21.42 2 6 0 81 392.386 4 ↓

Analogs

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Popular Name: 3-[(2-methoxydibenzofuran-3-yl)carbamoyl]-5-nitro-benzoic 3-[(2-methoxydibenzofuran-3-yl)c…

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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) 4.22 8.91 -54.16 1 9 -1 137 405.342 5 ↓

Analogs

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Popular Name: 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]benzoic 4-[(2-methoxydibenzofuran-3-yl)c…

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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) 4.33 8.25 -55.08 1 6 -1 92 360.345 4 ↓

Analogs

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Popular Name: N-dibenzofuran-3-yl-2-methoxy-3-methyl-benzamide N-dibenzofuran-3-yl-2-methoxy-3-…

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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) 5.39 10.34 -13.39 1 4 0 51 331.371 3 ↓

Analogs

39371029
39371029
39897645
39897645
39897646
39897646
39897651
39897651
3660020
3660020

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Popular Name: N-dibenzofuran-3-yl-4-isopropyl-benzamide N-dibenzofuran-3-yl-4-isopropyl-…

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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) 5.95 1.51 -10.89 1 3 0 42 329.399 3 ↓

Analogs

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Popular Name: 3-butoxy-N-dibenzofuran-3-yl-benzamide 3-butoxy-N-dibenzofuran-3-yl-ben…

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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) 5.91 11.03 -13.38 1 4 0 51 359.425 6 ↓

Parameters Provided:

ring.id = 36858
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 = 36858 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=36858&filter.purchasability=annotated

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