Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_g6agekq84gadqlnr5et5je6fg0, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxy-4-methyl-phenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(2-ethoxy-4-methyl-phenyl)-2-[…

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) 2.45 6.82 -16.72 2 7 0 97 378.432 6 ↓
Hi High (pH 8-9.5) 2.90 5.01 -57.03 1 7 -1 100 377.424 6 ↓
Lo Low (pH 4.5-6) 2.45 7.28 -52.14 3 7 1 98 379.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethoxyphenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(3-ethoxyphenyl)-2-[4-methyl-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) 2.04 6.02 -17.37 2 7 0 97 364.405 6 ↓
Hi High (pH 8-9.5) 2.50 4.21 -55.87 1 7 -1 100 363.397 6 ↓
Lo Low (pH 4.5-6) 2.04 6.48 -53.08 3 7 1 98 365.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-phenyl-acetamide 2-[4-methyl-6-oxo-2-(4-pyridyl)-…

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) 1.64 5.84 -17.54 2 6 0 88 320.352 4 ↓
Hi High (pH 8-9.5) 2.09 3.99 -57.49 1 6 -1 91 319.344 4 ↓
Lo Low (pH 4.5-6) 1.64 6.3 -52.88 3 6 1 89 321.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(4-bromophenyl)-2-[4-methyl-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) 2.44 6.47 -16.98 2 6 0 88 399.248 4 ↓
Hi High (pH 8-9.5) 2.90 4.61 -54.95 1 6 -1 91 398.24 4 ↓
Lo Low (pH 4.5-6) 2.44 6.92 -52.56 3 6 1 89 400.256 4 ↓

Analogs

42091617
42091617

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-(m-tolyl)acetamide 2-[4-methyl-6-oxo-2-(4-pyridyl)-…

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) 2.06 6.47 -17.62 2 6 0 88 334.379 4 ↓
Hi High (pH 8-9.5) 2.52 4.66 -57.31 1 6 -1 91 333.371 4 ↓
Lo Low (pH 4.5-6) 2.06 6.93 -52.95 3 6 1 89 335.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-(o-tolyl)acetamide 2-[4-methyl-6-oxo-2-(4-pyridyl)-…

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) 2.04 6.68 -17.08 2 6 0 88 334.379 4 ↓
Hi High (pH 8-9.5) 2.49 4.88 -57.55 1 6 -1 91 333.371 4 ↓
Lo Low (pH 4.5-6) 2.04 7.14 -52.62 3 6 1 89 335.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(2,3-dimethylphenyl)-2-[4-meth…

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) 2.44 7.2 -17.81 2 6 0 88 348.406 4 ↓
Hi High (pH 8-9.5) 2.90 5.39 -56.19 1 6 -1 91 347.398 4 ↓
Lo Low (pH 4.5-6) 2.44 7.66 -53.11 3 6 1 89 349.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(3,4-dimethylphenyl)-2-[4-meth…

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) 2.46 7.03 -17.89 2 6 0 88 348.406 4 ↓
Hi High (pH 8-9.5) 2.92 5.22 -57.87 1 6 -1 91 347.398 4 ↓
Lo Low (pH 4.5-6) 2.46 7.48 -53.17 3 6 1 89 349.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(4-fluorophenyl)-2-[4-methyl-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) 1.80 5.91 -17.58 2 6 0 88 338.342 4 ↓
Hi High (pH 8-9.5) 2.26 4.06 -55.4 1 6 -1 91 337.334 4 ↓
Lo Low (pH 4.5-6) 1.80 6.37 -53.21 3 6 1 89 339.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(3-fluorophenyl)-2-[4-methyl-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) 1.78 5.91 -20.32 2 6 0 88 338.342 4 ↓
Hi High (pH 8-9.5) 2.23 4.06 -60.54 1 6 -1 91 337.334 4 ↓
Lo Low (pH 4.5-6) 1.78 6.37 -55.1 3 6 1 89 339.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[4-methyl-6-oxo-2-(4-pyridyl)-…

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) 2.51 6.85 -20.39 2 6 0 88 388.349 5 ↓
Hi High (pH 8-9.5) 2.97 5 -60.46 1 6 -1 91 387.341 5 ↓
Lo Low (pH 4.5-6) 2.51 7.31 -54.91 3 6 1 89 389.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(5-chloro-2-methoxy-phenyl)-2-…

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) 2.30 5.77 -17.66 2 7 0 97 384.823 5 ↓
Hi High (pH 8-9.5) 2.76 3.92 -57.93 1 7 -1 100 383.815 5 ↓
Lo Low (pH 4.5-6) 2.30 6.23 -52.74 3 7 1 98 385.831 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(3-chloro-2-methyl-phenyl)-2-[…

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 7.08 -15.95 2 6 0 88 368.824 4 ↓
Hi High (pH 8-9.5) 3.12 5.27 -52.92 1 6 -1 91 367.816 4 ↓
Lo Low (pH 4.5-6) 2.67 7.53 -52.05 3 6 1 89 369.832 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(4-isopropylphenyl)-2-[4-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) 3.15 7.76 -17.31 2 6 0 88 362.433 5 ↓
Hi High (pH 8-9.5) 3.61 5.92 -57.51 1 6 -1 91 361.425 5 ↓
Lo Low (pH 4.5-6) 3.15 8.22 -52.49 3 6 1 89 363.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(3,4-difluorophenyl)-2-[4-meth…

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) 1.89 5.96 -21.11 2 6 0 88 356.332 4 ↓
Hi High (pH 8-9.5) 2.35 4.11 -59.25 1 6 -1 91 355.324 4 ↓
Lo Low (pH 4.5-6) 1.89 6.42 -56.16 3 6 1 89 357.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(3-fluoro-4-methyl-phenyl)-2-[…

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 6.5 -16.15 2 6 0 88 352.369 4 ↓
Hi High (pH 8-9.5) 2.63 4.7 -60.9 1 6 -1 91 351.361 4 ↓
Lo Low (pH 4.5-6) 2.18 6.96 -52.36 3 6 1 89 353.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-methyl-phenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(2-fluoro-4-methyl-phenyl)-2-[…

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 6.59 -15.23 2 6 0 88 352.369 4 ↓
Hi High (pH 8-9.5) 2.63 4.77 -54.18 1 6 -1 91 351.361 4 ↓
Lo Low (pH 4.5-6) 2.18 7.05 -51.33 3 6 1 89 353.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(5-chloro-2-methyl-phenyl)-2-[…

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) 2.69 7.2 -17.84 2 6 0 88 368.824 4 ↓
Hi High (pH 8-9.5) 3.15 5.4 -58.58 1 6 -1 91 367.816 4 ↓
Lo Low (pH 4.5-6) 2.69 7.66 -52.94 3 6 1 89 369.832 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(4-ethoxyphenyl)-2-[4-methyl-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) 2.07 6.02 -18.19 2 7 0 97 364.405 6 ↓
Hi High (pH 8-9.5) 2.53 4.2 -56.89 1 7 -1 100 363.397 6 ↓
Lo Low (pH 4.5-6) 2.07 6.48 -53.84 3 7 1 98 365.413 6 ↓

Analogs

42091321
42091321

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(3,5-dimethylphenyl)-2-[4-meth…

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) 2.46 7.14 -17.82 2 6 0 88 348.406 4 ↓
Hi High (pH 8-9.5) 2.92 5.32 -56.19 1 6 -1 91 347.398 4 ↓
Lo Low (pH 4.5-6) 2.46 7.59 -53.11 3 6 1 89 349.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-phenyl-acetamide N-methyl-2-[4-methyl-6-oxo-2-(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) 1.88 7.58 -18.28 1 6 0 79 334.379 4 ↓
Hi High (pH 8-9.5) 2.34 5.73 -58.88 0 6 -1 82 333.371 4 ↓
Lo Low (pH 4.5-6) 1.88 8.03 -53.76 2 6 1 80 335.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-phenyl-acetamide N-ethyl-2-[4-methyl-6-oxo-2-(4-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) 2.26 8.37 -18.38 1 6 0 79 348.406 5 ↓
Hi High (pH 8-9.5) 2.71 6.54 -56.89 0 6 -1 82 347.398 5 ↓
Lo Low (pH 4.5-6) 2.26 8.83 -53.93 2 6 1 80 349.414 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-(4-pentylphenyl)acetamide 2-[4-methyl-6-oxo-2-(4-pyridyl)-…

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 9.58 -17.47 2 6 0 88 390.487 8 ↓
Hi High (pH 8-9.5) 4.46 7.77 -57.24 1 6 -1 91 389.479 8 ↓
Lo Low (pH 4.5-6) 4.01 10.03 -52.62 3 6 1 89 391.495 8 ↓

Parameters Provided:

ring.id = 169985
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 = 169985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=169985&filter.purchasability=annotated

Embed Link to Results