UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridine-3-carboxamide 1-benzyl-N-[4-[(3,4-dimethylisox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.46 8.23 -58.8 1 10 -1 138 528.57 7 ↓
Lo Low (pH 4.5-6) 3.46 8.89 -21.2 2 10 0 136 529.578 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-oxo-1-(p-tolylmethyl)-1,8-naphthyridine-3-carbo N-[4-[(3,4-dimethylisoxazol-5-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.91 8.86 -59.13 1 10 -1 138 542.597 7 ↓
Lo Low (pH 4.5-6) 3.91 9.52 -21.41 2 10 0 136 543.605 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridin N-[4-[(3,4-dimethylisoxazol-5-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.63 8.29 -58.81 1 10 -1 138 546.56 7 ↓
Lo Low (pH 4.5-6) 3.63 8.95 -21.18 2 10 0 136 547.568 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridin N-[4-[(3,4-dimethylisoxazol-5-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.58 8.11 -61.86 1 10 -1 138 546.56 7 ↓
Lo Low (pH 4.5-6) 3.58 8.76 -23.77 2 10 0 136 547.568 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenyl)methyl]-N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridin 1-[(4-chlorophenyl)methyl]-N-[4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.14 8.74 -58.29 1 10 -1 138 563.015 7 ↓
Lo Low (pH 4.5-6) 4.14 9.4 -20.69 2 10 0 136 564.023 7 ↓

Parameters Provided:

ring.id = 199223
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 = 199223 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=199223&filter.purchasability=annotated

Embed Link to Results