UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-allyl-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-6-yl)-N-phenyl-propanamide 3-(3-allyl-7-oxo-2-thioxo-thiazo…

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) 1.85 10.27 -21.09 1 6 0 69 372.475 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-allyl-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-6-yl)-N,N-diisobutyl-acetamide 2-(3-allyl-7-oxo-2-thioxo-thiazo…

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) 2.38 12.48 -19.97 0 6 0 60 394.566 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-6-[(3-fluoro-4-methoxy-phenyl)methyl]-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one 3-allyl-6-[(3-fluoro-4-methoxy-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) 2.52 10.63 -24.81 0 5 0 49 363.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-7-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-thiazolo[4,5-d]pyrimidin- 2-[6-(4-fluorophenyl)-7-oxo-3-[[…

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) 3.70 12.56 -20.19 1 8 0 87 558.682 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-7-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-thioxo-thiazolo[4,5-d]pyrimidin- 2-[6-(4-fluorophenyl)-7-oxo-3-[[…

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) 3.70 12.45 -17.92 1 8 0 87 558.682 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-6-[(4-bromo-2-fluoro-phenyl)methyl]-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one 3-allyl-6-[(4-bromo-2-fluoro-phe…

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) 3.28 11.72 -11.84 0 4 0 40 412.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-4-[3-(2-methylprop-2-enoxy)phenyl]-8-thioxo-9-thia-3,5,7-triazabicyclo[4.3.0]nona-4,10-dien 7-methyl-4-[3-(2-methylprop-2-en…

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) 3.41 -1.73 -12.39 1 5 0 59 345.449 4 ↓
Hi High (pH 8-9.5) 3.87 7.96 -40.25 0 5 -1 63 344.441 4 ↓

Parameters Provided:

ring.id = 127215
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 = 127215 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=127215&filter.purchasability=annotated

Embed Link to Results