Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_c610bjtbdfso40n1q91ivuqo47, 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

41195731
41195731
41195733
41195733
41195735
41195735
41192344
41192344
41192346
41192346

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-[(3S)-tetrahydrofuran-3-yl]methyl]propan-1-amine N-[(R)-4,5,6,7-tetrahydro-1,3-be…

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) 2.95 6.34 -35.47 2 3 1 39 281.445 5 ↓
Hi High (pH 8-9.5) 2.95 5.36 -4.6 1 3 0 34 280.437 5 ↓

Analogs

41195733
41195733
41195735
41195735
41192344
41192344
41192346
41192346
41192349
41192349

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-[(3S)-tetrahydrofuran-3-yl]methyl]propan-1-amine N-[(S)-4,5,6,7-tetrahydro-1,3-be…

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) 2.95 6.51 -38.87 2 3 1 39 281.445 5 ↓
Hi High (pH 8-9.5) 2.95 5.05 -6.01 1 3 0 34 280.437 5 ↓

Analogs

41195735
41195735
41192344
41192344
41192346
41192346
41192349
41192349
41192352
41192352

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-[(3R)-tetrahydrofuran-3-yl]methyl]propan-1-amine N-[(R)-4,5,6,7-tetrahydro-1,3-be…

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) 2.95 6.53 -39.11 2 3 1 39 281.445 5 ↓
Hi High (pH 8-9.5) 2.95 4.87 -5.06 1 3 0 34 280.437 5 ↓

Analogs

41192344
41192344
41192346
41192346
41192349
41192349
41192352
41192352
41195729
41195729

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-[(3R)-tetrahydrofuran-3-yl]methyl]propan-1-amine N-[(S)-4,5,6,7-tetrahydro-1,3-be…

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) 2.95 6.38 -36.4 2 3 1 39 281.445 5 ↓
Hi High (pH 8-9.5) 2.95 5.34 -5.2 1 3 0 34 280.437 5 ↓

Analogs

41198001
41198001
41198003
41198003
41198005
41198005
41201464
41201464
41201467
41201467

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-[(3S)-tetrahydrofuran-3-yl]methyl]propan-2-amine N-[(R)-4,5,6,7-tetrahydro-1,3-be…

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) 2.74 6.25 -35.77 2 3 1 39 281.445 4 ↓
Mid Mid (pH 6-8) 2.74 5.24 -3.49 1 3 0 34 280.437 4 ↓

Analogs

41198003
41198003
41198005
41198005
41201464
41201464
41201467
41201467
41201470
41201470

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-[(3S)-tetrahydrofuran-3-yl]methyl]propan-2-amine N-[(S)-4,5,6,7-tetrahydro-1,3-be…

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) 2.74 6.26 -36.53 2 3 1 39 281.445 4 ↓
Mid Mid (pH 6-8) 2.74 5.32 -6.92 1 3 0 34 280.437 4 ↓

Analogs

41198005
41198005
41201464
41201464
41201467
41201467
41201470
41201470
41201473
41201473

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-[(3R)-tetrahydrofuran-3-yl]methyl]propan-2-amine N-[(R)-4,5,6,7-tetrahydro-1,3-be…

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) 2.74 6.31 -35.7 2 3 1 39 281.445 4 ↓
Mid Mid (pH 6-8) 2.74 5.29 -5.68 1 3 0 34 280.437 4 ↓

Analogs

41201464
41201464
41201467
41201467
41201470
41201470
41201473
41201473
41197999
41197999

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-[(3R)-tetrahydrofuran-3-yl]methyl]propan-2-amine N-[(S)-4,5,6,7-tetrahydro-1,3-be…

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) 2.74 6.17 -33.4 2 3 1 39 281.445 4 ↓
Mid Mid (pH 6-8) 2.74 5.09 -5.46 1 3 0 34 280.437 4 ↓

Parameters Provided:

ring.id = 521065
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 = 521065 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=521065&filter.purchasability=annotated

Embed Link to Results