UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 0.49 1.01 -10.91 1 6 0 76 299.348 5 ↓

Analogs

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Popular Name: 6-bromo-N-cyclopropyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide 6-bromo-N-cyclopropyl-N-ethyl-2,…

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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) 2.24 4.23 -9.27 0 5 0 56 362.245 4 ↓

Analogs

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Popular Name: 6-bromo-N-cyclopropyl-N-isobutyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide 6-bromo-N-cyclopropyl-N-isobutyl…

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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) 2.98 5.79 -9.27 0 5 0 56 390.299 5 ↓

Analogs

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Popular Name: 6-bromo-N-cyclopropyl-N-methyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide 6-bromo-N-cyclopropyl-N-methyl-2…

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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) 1.86 3.43 -9.16 0 5 0 56 348.218 3 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-N-cyclopropyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide N-(3-aminopropyl)-N-cyclopropyl-…

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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) 0.20 2.01 -51.42 3 6 1 83 313.399 6 ↓

Parameters Provided:

ring.id = 63917
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 = 63917 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=63917&filter.purchasability=annotated

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