UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-[(2,4-dimethylphenyl)amino]-6H-1,3,4-thiadiazin-5-yl]-3,4-dihydro-1H-quinolin-2-one 6-[2-[(2,4-dimethylphenyl)amino]…

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) 4.09 9.21 -13.48 2 5 0 66 364.474 2 ↓
Lo Low (pH 4.5-6) 4.09 9.63 -33.9 3 5 1 67 365.482 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-(3-chloroanilino)-6H-1,3,4-thiadiazin-5-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[2-(3-chloroanilino)-6H-1,3,4-…

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) 4.01 8.32 -15.43 2 5 0 66 388.855 2 ↓
Lo Low (pH 4.5-6) 4.01 8.51 -38.82 3 5 1 67 389.863 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-6-[2-(2-fluoroanilino)-6H-1,3,4-thiadiazin-5-yl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[2-(2-fluoroanilino)-…

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) 3.47 7.9 -17.6 2 5 0 66 372.4 2 ↓
Lo Low (pH 4.5-6) 3.47 7.99 -37.67 3 5 1 67 373.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-6-[2-(4-methylanilino)-6H-1,3,4-thiadiazin-5-yl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[2-(4-methylanilino)-…

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) 3.80 8.48 -15.54 2 5 0 66 368.437 2 ↓
Mid Mid (pH 6-8) 3.80 8.67 -36.46 3 5 1 67 369.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-6-[2-(3-methoxyanilino)-6H-1,3,4-thiadiazin-5-yl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[2-(3-methoxyanilino)…

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) 3.39 7.1 -17.58 2 6 0 75 384.436 3 ↓
Lo Low (pH 4.5-6) 3.39 7.29 -37.47 3 6 1 77 385.444 4 ↓

Parameters Provided:

ring.id = 146309
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 = 146309 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=146309&filter.purchasability=annotated

Embed Link to Results