UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-6-methyl-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin 4-[2-(3,4-dihydro-2H-quinolin-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) 2.18 11.07 -19.55 0 8 0 80 425.514 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyri 4-[2-[4-(2-methoxyphenyl)piperaz…

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) 1.57 10.61 -18.6 0 10 0 93 484.582 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-methyl-5,7-dioxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimi N-[2-chloro-5-(trifluoromethyl)p…

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) 2.92 10.14 -17.34 1 8 0 89 487.891 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-(6-methyl-5,7-dioxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-4-yl)ac N-(4-bromo-2-fluoro-phenyl)-2-(6…

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 9.26 -15 1 8 0 89 482.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(6-methyl-5,7-dioxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-4 N-(5-chloro-2,4-dimethoxy-phenyl…

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) 2.07 7.79 -21.02 1 10 0 108 479.946 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyri 4-[2-[4-(4-methoxyphenyl)piperaz…

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) 1.62 10.1 -20.22 0 10 0 93 484.582 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromophenyl)methyl]-2-(6-methyl-5,7-dioxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-4-yl)acet N-[(2-bromophenyl)methyl]-2-(6-m…

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) 1.88 9.14 -17.04 1 8 0 89 478.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-5,7-dioxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)ace 2-(6-methyl-5,7-dioxo-2-pyrrolid…

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) 1.05 7.68 -22.32 1 11 0 117 475.527 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-isopropylphenyl)-2-(6-methyl-5,7-dioxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-4-yl)acetamid N-(3-isopropylphenyl)-2-(6-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) 2.91 10.43 -17.75 1 8 0 89 427.53 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4-methyl-phenyl)-2-(6-methyl-5,7-dioxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-4-yl)ac N-(2-bromo-4-methyl-phenyl)-2-(6…

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) 2.61 9.94 -15.77 1 8 0 89 478.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-ethoxy-1,3-benzothiazol-2-yl)-2-(6-methyl-5,7-dioxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin- N-(5-ethoxy-1,3-benzothiazol-2-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) 2.39 9.51 -20.34 1 10 0 111 486.579 6 ↓

Parameters Provided:

ring.id = 503802
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 = 503802 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=503802&filter.purchasability=annotated

Embed Link to Results