Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_tq1u59vo7tn6a2p4ams6ujpvf6, 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

41198389
41198389

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-cyclopropyl-5-thiazol-2-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (5R)-N-cyclopropyl-5-thiazol-2-y…

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) 3.66 8.42 -31 2 2 1 29 285.436 3 ↓
Hi High (pH 8-9.5) 3.66 7.7 -4.77 1 2 0 25 284.428 3 ↓

Analogs

41198387
41198387

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-cyclopropyl-5-thiazol-2-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (5S)-N-cyclopropyl-5-thiazol-2-y…

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) 3.66 9.41 -27.92 2 2 1 29 285.436 3 ↓
Hi High (pH 8-9.5) 3.66 7.4 -4.4 1 2 0 25 284.428 3 ↓

Analogs

41198919
41198919
41196484
41196484
41196486
41196486

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-cyclopropyl-9-(4-methylthiazol-2-yl)-5,6,7,8-tetrahydrobenzo[7]annulen-9-amine (9S)-N-cyclopropyl-9-(4-methylth…

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 8.98 -30.9 2 2 1 29 299.463 3 ↓
Hi High (pH 8-9.5) 3.88 8.66 -3.44 1 2 0 25 298.455 3 ↓

Analogs

41196484
41196484
41196486
41196486
41198916
41198916

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-cyclopropyl-9-(4-methylthiazol-2-yl)-5,6,7,8-tetrahydrobenzo[7]annulen-9-amine (9R)-N-cyclopropyl-9-(4-methylth…

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 8.97 -30.84 2 2 1 29 299.463 3 ↓
Hi High (pH 8-9.5) 3.88 9.34 -4.04 1 2 0 25 298.455 3 ↓

Parameters Provided:

ring.id = 521524
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 = 521524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=521524&filter.purchasability=annotated

Embed Link to Results