Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_buuhp7qj3henacaci4nr1s6tu6, 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: 4-amino-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propyl-isothiazole-3-carboxamide 4-amino-5-[4-(3-chlorophenyl)pip…

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) 2.71 4.71 -9.49 3 7 0 92 407.927 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-propyl-isothiazole-3-carboxamide 4-amino-5-[4-(2-fluorophenyl)pip…

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) 2.17 4.71 -8.65 3 7 0 92 391.472 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-propyl-isothiazole-3-carboxamide 4-amino-5-[4-(4-chlorophenyl)pip…

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) 2.73 4.72 -9.42 3 7 0 92 407.927 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propyl-isothiazole-3-carboxamide 4-amino-5-[4-(4-methoxyphenyl)pi…

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) 2.11 3.48 -10.52 3 8 0 101 403.508 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-N-propyl-isothiazole-3-carboxamide 4-amino-5-[4-(3-methoxyphenyl)pi…

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) 2.08 3.5 -10.5 3 8 0 101 403.508 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-isobutyl-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isothiazole-3-carboxamide 4-amino-N-isobutyl-5-[4-(2-metho…

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) 2.30 4.75 -8.52 3 8 0 101 417.535 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-isobutyl-5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]isothiazole-3-carboxamide 4-amino-N-isobutyl-5-[4-(3-metho…

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 4.24 -10.27 3 8 0 101 417.535 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-isobutyl-isothiazole-3-carboxamide 4-amino-5-[4-(2-fluorophenyl)pip…

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) 2.41 5.46 -8.49 3 7 0 92 405.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-isobutyl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]isothiazole-3-carboxamide 4-amino-N-isobutyl-5-[4-(4-metho…

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) 2.35 4.23 -10.24 3 8 0 101 417.535 6 ↓

Parameters Provided:

ring.id = 516378
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 = 516378 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=516378&filter.purchasability=annotated

Embed Link to Results