Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_4u13urm028e1bkjnpvqaodhnv0, 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,N-diethyl-3-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]benzamide N,N-diethyl-3-[[2-(4-phenylphtha…

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) 4.63 12.27 -24.68 1 6 0 75 470.598 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide N-[2-(difluoromethylsulfanyl)phe…

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) 5.87 0.77 -14.04 1 4 0 55 453.539 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide (2S)-N-(3-acetylphenyl)-2-[4-(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) 5.33 11.74 -21.07 1 5 0 72 445.519 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide (2R)-N-(3-acetylphenyl)-2-[4-(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) 5.33 11.73 -21 1 5 0 72 445.519 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(o-tolyl)propanamide (2R)-2-[4-(4-fluorophenyl)phthal…

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) 5.86 12.22 -12.71 1 4 0 55 417.509 5 ↓

Parameters Provided:

ring.id = 44196
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 = 44196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=44196&filter.purchasability=annotated

Embed Link to Results