Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vtigrcul7pcshsu5r9449si8v4, 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

33975945
33975945

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-fluoro-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 4-bromo-3-fluoro-N-(2-methyl-5,6…

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) 2.96 7.66 -13.11 1 4 0 47 338.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-chloro-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 4-bromo-2-chloro-N-(2-methyl-5,6…

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) 3.47 8.12 -12.2 1 4 0 47 354.635 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 4-bromo-2-methyl-N-(2-methyl-5,6…

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) 3.24 8.32 -10.16 1 4 0 47 334.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-iodo-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 4-chloro-3-iodo-N-(2-methyl-5,6-…

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) 3.75 8.52 -12.56 1 4 0 47 401.635 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-iodo-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 5-chloro-2-iodo-N-(2-methyl-5,6-…

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) 3.75 8.59 -9.7 1 4 0 47 401.635 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-iodo-3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 2-iodo-3-methyl-N-(2-methyl-5,6-…

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) 3.49 8.57 -11.84 1 4 0 47 381.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-iodo-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 4-fluoro-2-iodo-N-(2-methyl-5,6-…

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) 3.23 8.14 -11.46 1 4 0 47 385.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-iodo-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 4-chloro-2-iodo-N-(2-methyl-5,6-…

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) 3.75 8.58 -11.05 1 4 0 47 401.635 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-iodo-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 3-bromo-4-iodo-N-(2-methyl-5,6-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) 3.88 8.6 -12.21 1 4 0 47 446.086 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-iodo-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 5-bromo-2-iodo-N-(2-methyl-5,6-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) 3.88 8.7 -9.54 1 4 0 47 446.086 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-fluoro-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 4-bromo-2-fluoro-N-(2-methyl-5,6…

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) 2.96 7.7 -14.12 1 4 0 47 338.18 2 ↓

Analogs

33975945
33975945

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-difluoro-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide 2,5-difluoro-N-(2-methyl-5,6-dih…

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) 2.31 7.14 -13.09 1 4 0 47 277.274 2 ↓

Parameters Provided:

ring.id = 568947
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 = 568947 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=568947&filter.purchasability=annotated

Embed Link to Results