UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44609107
44609107
44609123
44609123

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-7-[(2-methylthiazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one 6-fluoro-7-[(2-methylthiazol-4-y…

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) 1.84 4.13 -9.9 2 4 0 54 291.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-7-[[(1R)-1-(2-methylthiazol-4-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one 6-fluoro-7-[[(1R)-1-(2-methylthi…

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) 2.39 5.07 -9.95 2 4 0 54 305.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-7-[[(1S)-1-(2-methylthiazol-4-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one 6-fluoro-7-[[(1S)-1-(2-methylthi…

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) 2.39 5.06 -9.94 2 4 0 54 305.378 3 ↓

Parameters Provided:

ring.id = 135093
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 = 135093 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=135093&filter.purchasability=annotated

Embed Link to Results