Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_v7v42o1tb6qgvgodg28r93qk32, 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: 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide 2,7-dimethyl-N-[(2,4,5-trimethox…

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) 1.22 5.35 -14.72 1 8 0 87 370.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide N-[[4-(diethylsulfamoyl)phenyl]m…

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) 1.65 6.46 -17.29 1 8 0 97 415.519 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,7-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide 2,7-dimethyl-N-[(3,4,5-trimethox…

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) 1.22 5.89 -15.85 1 8 0 87 370.409 6 ↓

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) 1.49 9.07 -17.63 1 8 0 95 410.474 8 ↓

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) 1.49 9.72 -18.18 1 8 0 95 410.474 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,7-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide 2,7-dimethyl-N-[[2-(trifluoromet…

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 6.6 -11.61 1 6 0 69 364.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide N-[[4-(isopropylsulfamoylmethyl)…

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 5.18 -21.05 2 8 0 105 415.519 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide N-[(4-fluoro-3-methyl-phenyl)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) 2.13 7.46 -12.12 1 5 0 59 312.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(difluoromethoxy)phenyl]methyl]-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide N-[[2-(difluoromethoxy)phenyl]me…

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) 2.15 6.38 -13.06 1 6 0 69 346.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-ethoxy-3-methoxy-phenyl)ethyl]-2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxamid N-[(1R)-1-(4-ethoxy-3-methoxy-ph…

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) 2.02 4.28 -41.47 1 8 -1 101 369.401 6 ↓
Lo Low (pH 4.5-6) 2.02 3.53 -14.19 2 8 0 98 370.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-ethoxy-3-methoxy-phenyl)ethyl]-2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxamid N-[(1S)-1-(4-ethoxy-3-methoxy-ph…

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) 2.02 4.27 -41.38 1 8 -1 101 369.401 6 ↓
Lo Low (pH 4.5-6) 2.02 3.53 -13.99 2 8 0 98 370.409 6 ↓

Parameters Provided:

ring.id = 104279
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 = 104279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=104279&filter.purchasability=annotated

Embed Link to Results