UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1951854
1951854
1951855
1951855
1951857
1951857
1951860
1951860
1951861
1951861

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Popular Name: benzoic-acid-[2-(2-furyl)-4-keto-chromen-3-yl]-ester benzoic-acid-[2-(2-furyl)-4-keto…

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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) 4.67 4.58 -21.42 0 5 0 69 332.311 4 ↓

Analogs

1951854
1951854
1951855
1951855
1951857
1951857
1951860
1951860
1951861
1951861

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Popular Name: 3-methylbenzoic-acid-[2-(2-furyl)-4-keto-chromen-3-yl]-ester 3-methylbenzoic-acid-[2-(2-furyl…

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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) 5.10 4.9 -21.43 0 5 0 69 346.338 4 ↓

Analogs

1951854
1951854
1951855
1951855
1951857
1951857
1951860
1951860
1951861
1951861

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Popular Name: 4-tert-butylbenzoic-acid-[2-(2-furyl)-4-keto-chromen-3-yl]-ester 4-tert-butylbenzoic-acid-[2-(2-f…

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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) 6.38 5.73 -20.22 0 5 0 69 388.419 5 ↓

Analogs

1951871
1951871
1287499
1287499

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Popular Name: 2,4-dichlorobenzoic-acid-[2-(2-furyl)-4-keto-chromen-3-yl]-ester 2,4-dichlorobenzoic-acid-[2-(2-f…

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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) 5.62 4.26 -18.58 0 5 0 69 401.201 4 ↓

Analogs

1951553
1951553
1287498
1287498

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Popular Name: 2-iodobenzoic-acid-[2-(2-furyl)-4-keto-chromen-3-yl]-ester 2-iodobenzoic-acid-[2-(2-furyl)-…

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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) 5.37 3.76 -20.23 0 5 0 70 458.207 4 ↓

Parameters Provided:

ring.id = 230005
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 = 230005 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=230005&filter.purchasability=annotated

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