Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_k2sudn1itjkb9q912crcq4jaq3, 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

41539261
41539261
41539877
41539877
41539881
41539881

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-furyl)-4-hydroxy-1-methyl-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2S)-2-(2-furyl)-4-hydroxy-1-met…

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) 0.46 4.02 -54.08 0 7 -1 91 314.321 3 ↓
Lo Low (pH 4.5-6) 0.46 3.26 -12.95 1 7 0 89 315.329 3 ↓

Analogs

41539877
41539877
41539881
41539881
41539258
41539258

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-furyl)-4-hydroxy-1-methyl-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2R)-2-(2-furyl)-4-hydroxy-1-met…

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) 0.46 4.87 -58.77 0 7 -1 91 314.321 3 ↓
Lo Low (pH 4.5-6) 0.46 3.98 -13.98 1 7 0 89 315.329 3 ↓

Analogs

41539269
41539269
41539885
41539885
41539889
41539889

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-1-methyl-2-(5-methyl-2-furyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2S)-4-hydroxy-1-methyl-2-(5-met…

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) 0.68 5.23 -49.87 0 7 -1 91 328.348 3 ↓
Lo Low (pH 4.5-6) 0.68 4.46 -13.98 1 7 0 89 329.356 3 ↓

Analogs

41539885
41539885
41539889
41539889
41539265
41539265

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-1-methyl-2-(5-methyl-2-furyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2R)-4-hydroxy-1-methyl-2-(5-met…

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) 0.68 4.85 -54.67 0 7 -1 91 328.348 3 ↓
Lo Low (pH 4.5-6) 0.68 4.07 -12.91 1 7 0 89 329.356 3 ↓

Analogs

41539575
41539575

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-furyl)-4-hydroxy-1-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2S)-2-(2-furyl)-4-hydroxy-1-(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) 0.44 4.13 -55.47 0 8 -1 101 358.374 6 ↓
Lo Low (pH 4.5-6) 0.44 3.36 -12.96 1 8 0 98 359.382 6 ↓

Analogs

41539571
41539571

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-furyl)-4-hydroxy-1-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2R)-2-(2-furyl)-4-hydroxy-1-(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) 0.44 6.2 -59.35 0 8 -1 101 358.374 6 ↓
Lo Low (pH 4.5-6) 0.44 5.3 -13.82 1 8 0 98 359.382 6 ↓

Analogs

41539583
41539583

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-1-(2-methoxyethyl)-2-(5-methyl-2-furyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyr (2S)-4-hydroxy-1-(2-methoxyethyl…

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) 0.66 5.21 -53.42 0 8 -1 101 372.401 6 ↓
Lo Low (pH 4.5-6) 0.66 4.46 -15.62 1 8 0 98 373.409 6 ↓

Analogs

41539579
41539579

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-1-(2-methoxyethyl)-2-(5-methyl-2-furyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyr (2R)-4-hydroxy-1-(2-methoxyethyl…

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) 0.66 4.94 -58.98 0 8 -1 101 372.401 6 ↓
Lo Low (pH 4.5-6) 0.66 4.18 -14.67 1 8 0 98 373.409 6 ↓

Analogs

41539881
41539881
41539258
41539258
41539261
41539261

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-ethyl-2-(2-furyl)-4-hydroxy-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2S)-1-ethyl-2-(2-furyl)-4-hydro…

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) 0.83 5.39 -49.33 0 7 -1 91 328.348 4 ↓
Lo Low (pH 4.5-6) 0.83 4.63 -13.36 1 7 0 89 329.356 4 ↓

Analogs

41539258
41539258
41539261
41539261
41539877
41539877

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-ethyl-2-(2-furyl)-4-hydroxy-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2R)-1-ethyl-2-(2-furyl)-4-hydro…

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) 0.83 4.94 -54.57 0 7 -1 91 328.348 4 ↓
Lo Low (pH 4.5-6) 0.83 4.17 -12.76 1 7 0 89 329.356 4 ↓

Analogs

41539889
41539889
41539265
41539265
41539269
41539269

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-ethyl-4-hydroxy-2-(5-methyl-2-furyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2S)-1-ethyl-4-hydroxy-2-(5-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) 1.05 6.21 -50.09 0 7 -1 91 342.375 4 ↓
Lo Low (pH 4.5-6) 1.05 5.45 -13.49 1 7 0 89 343.383 4 ↓

Analogs

41539265
41539265
41539269
41539269
41539885
41539885

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-ethyl-4-hydroxy-2-(5-methyl-2-furyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2R)-1-ethyl-4-hydroxy-2-(5-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) 1.05 5.75 -55.21 0 7 -1 91 342.375 4 ↓
Lo Low (pH 4.5-6) 1.05 4.99 -12.84 1 7 0 89 343.383 4 ↓

Parameters Provided:

ring.id = 546178
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 = 546178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=546178&filter.purchasability=annotated

Embed Link to Results