UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(4-fluorophenyl)-1,3,6-trimethyl-2-oxo-4-thiazol-4-yl-4H-pyrimidine-5-carboxamide (4R)-N-(4-fluorophenyl)-1,3,6-tr…

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) 2.76 6.51 -13.92 1 6 0 66 360.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(4-fluorophenyl)-1,3,6-trimethyl-2-oxo-4-thiazol-4-yl-4H-pyrimidine-5-carboxamide (4S)-N-(4-fluorophenyl)-1,3,6-tr…

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) 2.76 6.56 -14.66 1 6 0 66 360.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(3-chlorophenyl)-3,4-dimethyl-2-oxo-6-thiazol-4-yl-1,6-dihydropyrimidine-5-carboxamide (6R)-N-(3-chlorophenyl)-3,4-dime…

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) 3.56 5.05 -14.59 2 6 0 74 362.842 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(3-chlorophenyl)-3,4-dimethyl-2-oxo-6-thiazol-4-yl-1,6-dihydropyrimidine-5-carboxamide (6S)-N-(3-chlorophenyl)-3,4-dime…

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) 3.56 5.42 -11.95 2 6 0 74 362.842 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-3,4-dimethyl-2-oxo-6-thiazol-4-yl-N-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxa (6R)-3,4-dimethyl-2-oxo-6-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) 3.75 5.73 -11.32 2 6 0 74 396.394 4 ↓
Hi High (pH 8-9.5) 3.94 4.95 -40.68 1 6 -1 81 395.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-3,4-dimethyl-2-oxo-6-thiazol-4-yl-N-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxa (6S)-3,4-dimethyl-2-oxo-6-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) 3.75 6.01 -11.01 2 6 0 74 396.394 4 ↓
Hi High (pH 8-9.5) 3.94 6.5 -40.52 1 6 -1 81 395.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-3-allyl-N-(4-fluorophenyl)-4-methyl-2-oxo-6-thiazol-4-yl-1,6-dihydropyrimidine-5-carboxamide (6R)-3-allyl-N-(4-fluorophenyl)-…

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) 3.71 6.01 -12.96 2 6 0 74 372.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-3-allyl-N-(4-fluorophenyl)-4-methyl-2-oxo-6-thiazol-4-yl-1,6-dihydropyrimidine-5-carboxamide (6S)-3-allyl-N-(4-fluorophenyl)-…

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) 3.71 6.51 -12.68 2 6 0 74 372.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(4-fluorophenyl)-3-isobutyl-4-methyl-2-oxo-6-thiazol-4-yl-1,6-dihydropyrimidine-5-carboxamide (6R)-N-(4-fluorophenyl)-3-isobut…

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) 4.19 6.5 -12.77 2 6 0 74 388.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(4-fluorophenyl)-3-isobutyl-4-methyl-2-oxo-6-thiazol-4-yl-1,6-dihydropyrimidine-5-carboxamide (6S)-N-(4-fluorophenyl)-3-isobut…

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) 4.19 6.99 -12.73 2 6 0 74 388.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(3-chlorophenyl)-6-methyl-2-oxo-4-thiazol-4-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (4R)-N-(3-chlorophenyl)-6-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) 2.76 3.44 -14.42 3 6 0 83 348.815 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(3-chlorophenyl)-6-methyl-2-oxo-4-thiazol-4-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (4S)-N-(3-chlorophenyl)-6-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) 2.76 3.88 -10.95 3 6 0 83 348.815 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-methyl-2-oxo-4-thiazol-4-yl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxa (4R)-6-methyl-2-oxo-4-thiazol-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) 2.95 4.09 -10.71 3 6 0 83 382.367 4 ↓
Hi High (pH 8-9.5) 3.14 3.33 -39.6 2 6 -1 89 381.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-methyl-2-oxo-4-thiazol-4-yl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxa (4S)-6-methyl-2-oxo-4-thiazol-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) 2.95 4.71 -10.39 3 6 0 83 382.367 4 ↓
Hi High (pH 8-9.5) 3.14 4.85 -39.55 2 6 -1 89 381.359 4 ↓

Parameters Provided:

ring.id = 451524
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 = 451524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=451524&filter.purchasability=annotated

Embed Link to Results