UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(9H-fluoren-2-ylsulfamoyl)-2-fluoro-benzoic 5-(9H-fluoren-2-ylsulfamoyl)-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) 4.24 8.2 -55.6 1 5 -1 86 382.392 4 ↓
Hi High (pH 8-9.5) 4.24 8.3 -107.04 0 5 -2 88 381.384 4 ↓

Analogs

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Popular Name: (E)-3-[3-(9H-fluoren-2-ylsulfamoyl)-4-methoxy-phenyl]prop-2-enoic (E)-3-[3-(9H-fluoren-2-ylsulfamo…

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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) 4.53 8.99 -55.86 1 6 -1 96 420.466 6 ↓
Hi High (pH 8-9.5) 4.53 9.08 -103.28 0 6 -2 98 419.458 6 ↓

Analogs

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Popular Name: N-(9H-fluoren-2-yl)-2-methoxy-benzenesulfonamide N-(9H-fluoren-2-yl)-2-methoxy-be…

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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) 4.58 8.27 -12.42 1 4 0 55 351.427 4 ↓
Hi High (pH 8-9.5) 4.58 8.33 -55.92 0 4 -1 57 350.419 4 ↓

Analogs

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Popular Name: N-(9H-fluoren-2-yl)-4-hydroxy-3-nitro-benzenesulfonamide N-(9H-fluoren-2-yl)-4-hydroxy-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) 4.24 8.31 -44.4 1 7 -1 115 381.389 4 ↓
Hi High (pH 8-9.5) 4.24 8.33 -96.73 0 7 -2 117 380.381 4 ↓
Mid Mid (pH 6-8) 4.24 7.33 -13.97 2 7 0 112 382.397 4 ↓

Parameters Provided:

ring.id = 122384
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 = 122384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=122384&filter.purchasability=annotated

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