Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_9tif1gcal6d1b4l59c4q9fsfb5, 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

20603029
20603029

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-furyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 6-(2-furyl)-1-methyl-4-(trifluor…

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) 2.65 6.37 -6.73 0 4 0 44 267.21 2 ↓

Analogs

20603643
20603643

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-6-(2-furyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 1-ethyl-6-(2-furyl)-4-(trifluoro…

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) 3.03 7.23 -6.61 0 4 0 44 281.237 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 2.33 7.51 -8.4 0 6 0 70 285.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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) 3.07 9.15 -8.11 0 6 0 70 313.357 5 ↓

Analogs

36636857
36636857

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-oxo-propyl] [(1S)-1-methyl-2-oxo-propyl]

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) 2.24 9.82 -11.9 0 7 0 87 341.367 6 ↓

Analogs

36636855
36636855

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-oxo-propyl] [(1R)-1-methyl-2-oxo-propyl]

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) 2.24 9.78 -11.69 0 7 0 87 341.367 6 ↓

Analogs

36636868
36636868

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(1R)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] [2-[[(1R)-1,4-dimethylpentyl]ami…

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) 3.69 11.45 -12.6 1 8 0 99 426.517 10 ↓

Analogs

36636866
36636866

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] [2-[[(1S)-1,4-dimethylpentyl]ami…

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) 3.69 11.45 -12.63 1 8 0 99 426.517 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-6-(5-methyl-2-furyl)pyrazolo[3,4-b]pyridine-4-carboxylic 1-methyl-6-(5-methyl-2-furyl)pyr…

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) 1.55 6.66 -47.76 0 6 -1 84 256.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(5-methyl-2-furyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic 6-(5-methyl-2-furyl)-3-oxo-1,2-d…

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) 1.39 2.03 -47.01 2 7 -1 115 258.213 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,2,2-trifluoroethoxy)ethyl 2-(2,2,2-trifluoroethoxy)ethyl

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) 3.05 9.09 -12.21 0 7 0 79 397.353 9 ↓

Analogs

42925705
42925705

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-furyl)-N-isohexyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxamide 6-(2-furyl)-N-isohexyl-1-isoprop…

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) 3.61 8.87 -10.48 1 6 0 73 354.454 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-furyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide 6-(2-furyl)-1,3-dimethyl-pyrazol…

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) 0.80 2.61 -11.53 2 6 0 87 256.265 2 ↓

Parameters Provided:

ring.id = 74594
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 = 74594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=74594&filter.purchasability=annotated

Embed Link to Results