Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_aldb77mdtkvkk6lmo7kklnfdg0, 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

6542216
6542216
6566688
6566688
6566689
6566689
3887305
3887305

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(7-ethyl-5-bicyclo[3.3.1]nonyl)-propanamide 2-chloro-N-(7-ethyl-5-bicyclo[3.…

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) 4.01 -0.5 -6.27 1 2 0 29 257.805 3 ↓

Analogs

171826
171826

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,6R,9S)-6-(1-piperidyl)bicyclo[3.3.1]nonan-9-ol (1R,5S,6R,9S)-6-(1-piperidyl)bic…

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) 2.64 6.1 -27.06 2 2 1 25 224.368 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-hydroxybicyclo[3.3.1]nonane-3-carboxylic (1R,5S)-9-hydroxybicyclo[3.3.1]n…

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) 1.34 2.6 -47.4 1 3 -1 60 183.227 1 ↓

Analogs

12480053
12480053
4031875
4031875
4743446
4743446

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R)-N-methylbicyclo[3.3.1]nonane-7-carboxamide (1S,5R)-N-methylbicyclo[3.3.1]no…

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) 2.48 4.29 -8.82 1 2 0 29 181.279 1 ↓

Analogs

542433
542433
2839291
2839291
4025781
4025781
4094050
4094050
4318374
4318374

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6S,9R)-6-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol (1S,5R,6S,9R)-6-(1-methylpiperid…

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) -1.33 5.43 -25.96 1 2 1 20 238.395 1 ↓

Analogs

2839291
2839291
4025781
4025781
4094050
4094050
4318374
4318374
5164610
5164610

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6R,9R)-6-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol (1S,5R,6R,9R)-6-(1-methylpiperid…

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) -1.33 -0.16 -26.28 1 2 1 20 238.395 1 ↓

Analogs

4141341
4141341

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4S,5S,8S)-bicyclo[3.3.1]nonane-4,8-diol (1S,4S,5S,8S)-bicyclo[3.3.1]nona…

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) 0.84 -0.34 -4.7 2 2 0 40 156.225 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,5S,7R)-7-ethyl-5-bicyclo[3.3.1]nonanyl] [(1S,5S,7R)-7-ethyl-5-bicyclo[3.…

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) 4.99 9.19 -4.58 0 2 0 26 236.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,5S,7S)-7-ethyl-5-bicyclo[3.3.1]nonanyl] [(1S,5S,7S)-7-ethyl-5-bicyclo[3.…

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) 4.99 9.26 -4.54 0 2 0 26 236.355 4 ↓

Parameters Provided:

ring.id = 3383
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 = 3383 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3383&filter.purchasability=annotated

Embed Link to Results