UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-benzyl-6-oxo-3,4-dihydro-2H-[1…

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) 2.67 8.1 -13.9 1 5 0 64 351.431 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(4-methoxyphenyl)methyl]-6-ox…

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) 2.73 7.4 -15.16 1 6 0 73 381.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-oxo-N-[(4-propoxyphenyl)methyl]-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide 6-oxo-N-[(4-propoxyphenyl)methyl…

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) 3.61 9.12 -14.73 1 6 0 73 409.511 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(2,5-dimethoxyphenyl)methyl]-…

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) 2.71 6.71 -16.28 1 7 0 82 411.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(3,4-dimethoxyphenyl)methyl]-…

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) 2.32 7.29 -17.4 1 7 0 82 411.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methylsulfanylphenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamid N-[(4-methylsulfanylphenyl)methy…

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) 3.10 9.12 -14.78 1 5 0 64 397.525 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(2-fluorophenyl)methyl]-6-oxo…

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) 2.79 8.12 -15.28 1 5 0 64 369.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(2-chlorophenyl)methyl]-6-oxo…

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) 3.30 8.51 -14.53 1 5 0 64 385.876 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxa N-[(1S)-1-(3,4-dimethoxyphenyl)e…

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) 2.88 8.14 -18.41 1 7 0 82 425.51 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxa N-[(1R)-1-(3,4-dimethoxyphenyl)e…

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) 2.88 8.14 -18.38 1 7 0 82 425.51 5 ↓

Parameters Provided:

ring.id = 563144
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 = 563144 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=563144&filter.purchasability=annotated

Embed Link to Results