Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_1kc2i8lbcei96ulcihm3g7ebf0, 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

41195739
41195739

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine N-[(S)-(1-methylpyrazol-4-yl)-(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) 2.43 7.05 -38.03 2 4 1 47 291.444 5 ↓
Mid Mid (pH 6-8) 2.43 5.9 -8.81 1 4 0 43 290.436 5 ↓

Analogs

41195737
41195737

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine N-[(R)-(1-methylpyrazol-4-yl)-(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) 2.43 7.12 -38.39 2 4 1 47 291.444 5 ↓
Mid Mid (pH 6-8) 2.43 5.93 -8.84 1 4 0 43 290.436 5 ↓

Analogs

41198013
41198013
41192182
41192182
41192185
41192185

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine N-[(S)-(1-methylpyrazol-4-yl)-(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) 2.23 5.85 -9.21 1 4 0 43 290.436 4 ↓
Mid Mid (pH 6-8) 2.23 6.82 -34.93 2 4 1 47 291.444 4 ↓

Analogs

41192182
41192182
41192185
41192185
41198011
41198011

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine N-[(R)-(1-methylpyrazol-4-yl)-(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) 2.23 5.84 -8.76 1 4 0 43 290.436 4 ↓
Mid Mid (pH 6-8) 2.23 6.87 -35.34 2 4 1 47 291.444 4 ↓

Parameters Provided:

ring.id = 521069
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 = 521069 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=521069&filter.purchasability=annotated

Embed Link to Results