UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[(3,4-dimethylphenyl)-oxo-BLAHyl]sulfanylmethyl]furan-3-carboxylic 2-[[(3,4-dimethylphenyl)-oxo-BLA…

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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) 5.05 13.01 -60.09 0 6 -1 88 451.549 5 ↓

Analogs

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Popular Name: 2-[(o-tolyl-oxo-BLAHyl)sulfanylmethyl]furan-3-carboxylic 2-[(o-tolyl-oxo-BLAHyl)sulfanylm…

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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) 4.63 12.76 -59.36 0 6 -1 88 437.522 5 ↓

Analogs

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Popular Name: 2-[[oxo-(p-tolyl)BLAHyl]sulfanylmethyl]furan-3-carboxylic 2-[[oxo-(p-tolyl)BLAHyl]sulfanyl…

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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) 4.46 12.48 -59.38 0 6 -1 88 437.522 5 ↓

Analogs

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Popular Name: 2-[[(4-methoxyphenyl)-oxo-BLAHyl]sulfanylmethyl]furan-3-carboxylic 2-[[(4-methoxyphenyl)-oxo-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) 4.07 11.09 -58.22 0 7 -1 97 453.521 6 ↓

Analogs

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Popular Name: 2-[[(3-methoxyphenyl)-oxo-BLAHyl]sulfanylmethyl]furan-3-carboxylic 2-[[(3-methoxyphenyl)-oxo-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) 4.26 11.12 -59.97 0 7 -1 97 453.521 6 ↓

Analogs

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Popular Name: 2-[(oxo-phenyl-BLAHyl)sulfanylmethyl]furan-3-carboxylic 2-[(oxo-phenyl-BLAHyl)sulfanylme…

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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 11.81 -59.57 0 6 -1 88 423.495 5 ↓

Analogs

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Popular Name: 2-[[(4-ethoxyphenyl)-oxo-BLAHyl]sulfanylmethyl]furan-3-carboxylic 2-[[(4-ethoxyphenyl)-oxo-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) 4.45 12.02 -57.95 0 7 -1 97 467.548 7 ↓

Parameters Provided:

ring.id = 119283
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 = 119283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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